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Isoquinolines and derivatives

Isoquinolines and derivatives

Aromatic heterocyclic organic compounds that consist of a benzene ring fused to a pyridine ring; they are structural isomers of quinoline. Includes compounds that are derived from isoquinolines.
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1 – 15 of 122 results
1

N,N'-Di-n-octyl-3,4,9,10-perylenetetracarboxylic Diimide 98.0+%, TCI America™
SDP

CAS: 78151-58-3 Molecular Formula: C40H42N2O4 Molecular Weight (g/mol): 614.786 MDL Number: MFCD08276854 InChI Key: YFGMQDNQVFJKTR-UHFFFAOYSA-N Synonym: PTCDI-C8 PubChem CID: 10722480 SMILES: CCCCCCCCN1C(=O)C2=C3C(=CC=C4C3=C(C=C2)C5=C6C4=CC=C7C6=C(C=C5)C(=O)N(C7=O)CCCCCCCC)C1=O

PubChem CID 10722480
CAS 78151-58-3
Molecular Weight (g/mol) 614.786
MDL Number MFCD08276854
SMILES CCCCCCCCN1C(=O)C2=C3C(=CC=C4C3=C(C=C2)C5=C6C4=CC=C7C6=C(C=C5)C(=O)N(C7=O)CCCCCCCC)C1=O
Synonym PTCDI-C8
InChI Key YFGMQDNQVFJKTR-UHFFFAOYSA-N
Molecular Formula C40H42N2O4
2

3,4,9,10-Perylenetetracarboxylic diimide, Thermo Scientific Chemicals

CAS: 81-33-4 Molecular Formula: C24H10N2O4 Molecular Weight (g/mol): 390.354 MDL Number: MFCD00024144 InChI Key: KJOLVZJFMDVPGB-UHFFFAOYSA-N Synonym: perylimid,3,4,9,10-perylenetetracarboxylic diimide,perylenediimide,3,4,9,10-perylenetetracarboxylic acid diimide,perylene-3,4:9,10-tetracarboxydiimide,unii-63nli8842l,anthra 2,1,9-def:6,5,10-d'e'f' diisoquinoline-1,3,8,10 2h,9h-tetrone,anthra 2,1,9-def:6,5,10-d'e'f' diisoquinoline-1,3,8,10 2h,9h-tetraone,isoquino 4',5',6':6,5,10 anthra 2,1,9-def isoquinoline-1,3,8,10 2h,9h-tetrone PubChem CID: 66475 ChEBI: CHEBI:52753 SMILES: C1=CC2=C3C(=CC=C4C3=C1C5=C6C4=CC=C7C6=C(C=C5)C(=O)NC7=O)C(=O)NC2=O

PubChem CID 66475
CAS 81-33-4
Molecular Weight (g/mol) 390.354
ChEBI CHEBI:52753
MDL Number MFCD00024144
SMILES C1=CC2=C3C(=CC=C4C3=C1C5=C6C4=CC=C7C6=C(C=C5)C(=O)NC7=O)C(=O)NC2=O
Synonym perylimid,3,4,9,10-perylenetetracarboxylic diimide,perylenediimide,3,4,9,10-perylenetetracarboxylic acid diimide,perylene-3,4:9,10-tetracarboxydiimide,unii-63nli8842l,anthra 2,1,9-def:6,5,10-d'e'f' diisoquinoline-1,3,8,10 2h,9h-tetrone,anthra 2,1,9-def:6,5,10-d'e'f' diisoquinoline-1,3,8,10 2h,9h-tetraone,isoquino 4',5',6':6,5,10 anthra 2,1,9-def isoquinoline-1,3,8,10 2h,9h-tetrone
InChI Key KJOLVZJFMDVPGB-UHFFFAOYSA-N
Molecular Formula C24H10N2O4
3

Norlaudanosine Hydrochloride 98.0+%, TCI America™
SDP

CAS: 6429-04-5 Molecular Formula: C20H26ClNO4 Molecular Weight (g/mol): 379.88 MDL Number: MFCD00035267 InChI Key: VMPLLPIDRGXFTQ-UHFFFAOYNA-N Synonym: Tetrahydropapaverine Hydrochloride, 1-(3,4-Dimethoxybenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline Hydrochloride PubChem CID: 16667431 IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride SMILES: COC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2)OC)OC)OC.Cl

PubChem CID 16667431
CAS 6429-04-5
Molecular Weight (g/mol) 379.88
MDL Number MFCD00035267
SMILES COC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2)OC)OC)OC.Cl
Synonym Tetrahydropapaverine Hydrochloride, 1-(3,4-Dimethoxybenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline Hydrochloride
IUPAC Name 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride
InChI Key VMPLLPIDRGXFTQ-UHFFFAOYNA-N
Molecular Formula C20H26ClNO4
4

Papaverine Hydrochloride 99.0+%, TCI America™
SDP

CAS: 61-25-6 Molecular Formula: C20H22ClNO4 Molecular Weight (g/mol): 375.849 MDL Number: MFCD00012745 InChI Key: UOTMYNBWXDUBNX-UHFFFAOYSA-N Synonym: papaverine hydrochloride,cardiospan,cardoverina,dispamil,drapavel,forpavin,papalease,papaversan,pavatest,paverolan PubChem CID: 6084 IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline;hydrochloride SMILES: COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC.Cl

PubChem CID 6084
CAS 61-25-6
Molecular Weight (g/mol) 375.849
MDL Number MFCD00012745
SMILES COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC.Cl
Synonym papaverine hydrochloride,cardiospan,cardoverina,dispamil,drapavel,forpavin,papalease,papaversan,pavatest,paverolan
IUPAC Name 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline;hydrochloride
InChI Key UOTMYNBWXDUBNX-UHFFFAOYSA-N
Molecular Formula C20H22ClNO4
5

Naloxone hydrochloride, 98%, Thermo Scientific Chemicals

CAS: 357-08-4 Molecular Formula: C19H22ClNO4 Molecular Weight (g/mol): 363.838 MDL Number: MFCD00069322 InChI Key: RGPDIGOSVORSAK-STHHAXOLSA-N Synonym: naloxone hydrochloride,naloxone hcl,narcan,evzio,unii-f850569pqr,nalonee,17-allyl-4,5alpha-epoxy-3,14-dihydroxymorphinan-6-one hydrochloride,narcan tn,naloxonehydrochloride PubChem CID: 5464092 IUPAC Name: (4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one;hydrochloride SMILES: C=CCN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)O)O4)O.Cl

PubChem CID 5464092
CAS 357-08-4
Molecular Weight (g/mol) 363.838
MDL Number MFCD00069322
SMILES C=CCN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)O)O4)O.Cl
Synonym naloxone hydrochloride,naloxone hcl,narcan,evzio,unii-f850569pqr,nalonee,17-allyl-4,5alpha-epoxy-3,14-dihydroxymorphinan-6-one hydrochloride,narcan tn,naloxonehydrochloride
IUPAC Name (4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one;hydrochloride
InChI Key RGPDIGOSVORSAK-STHHAXOLSA-N
Molecular Formula C19H22ClNO4
6

7-Bromo-1-hydroxyisoquinoline, 97%, Thermo Scientific Chemicals

CAS: 223671-15-6 Molecular Formula: C9H6BrNO Molecular Weight (g/mol): 224.057 MDL Number: MFCD02093963 InChI Key: DSOKREQUHLPVFR-UHFFFAOYSA-N PubChem CID: 11276133 IUPAC Name: 7-bromo-2H-isoquinolin-1-one SMILES: C1=CC(=CC2=C1C=CNC2=O)Br

PubChem CID 11276133
CAS 223671-15-6
Molecular Weight (g/mol) 224.057
MDL Number MFCD02093963
SMILES C1=CC(=CC2=C1C=CNC2=O)Br
IUPAC Name 7-bromo-2H-isoquinolin-1-one
InChI Key DSOKREQUHLPVFR-UHFFFAOYSA-N
Molecular Formula C9H6BrNO
7

3-Hydroxyisoquinoline, 99%, Thermo Scientific Chemicals

CAS: 7651-81-2 Molecular Formula: C9H7NO Molecular Weight (g/mol): 145.161 MDL Number: MFCD00075524 InChI Key: GYPOFOQUZZUVQL-UHFFFAOYSA-N Synonym: 3-hydroxyisoquinoline,isoquinolin-3-ol,isoquinolin-3 2h-one,3-isoquinolinol,2,3-dihydroisoquinolin-3-one,3 2h-isoquinolinone,2h-3-isoquinolone,zlchem 163,3-hydroxy-isoquinoline,3-isoquinolinol 9ci PubChem CID: 2736554 IUPAC Name: 2H-isoquinolin-3-one SMILES: C1=CC2=CC(=O)NC=C2C=C1

PubChem CID 2736554
CAS 7651-81-2
Molecular Weight (g/mol) 145.161
MDL Number MFCD00075524
SMILES C1=CC2=CC(=O)NC=C2C=C1
Synonym 3-hydroxyisoquinoline,isoquinolin-3-ol,isoquinolin-3 2h-one,3-isoquinolinol,2,3-dihydroisoquinolin-3-one,3 2h-isoquinolinone,2h-3-isoquinolone,zlchem 163,3-hydroxy-isoquinoline,3-isoquinolinol 9ci
IUPAC Name 2H-isoquinolin-3-one
InChI Key GYPOFOQUZZUVQL-UHFFFAOYSA-N
Molecular Formula C9H7NO
8

1,8-Naphthalimide, 98%, Thermo Scientific Chemicals

CAS: 81-83-4 Molecular Formula: C12H7NO2 Molecular Weight (g/mol): 197.193 MDL Number: MFCD00006920 InChI Key: XJHABGPPCLHLLV-UHFFFAOYSA-N Synonym: 1,8-naphthalimide,naphthalimide,1h-benz de isoquinoline-1,3 2h-dione,1h-benzo de isoquinoline-1,3 2h-dione,1,8-naphthalenedicarboximide,benzo de isoquinoline-1,3-dione,unii-gi0tv19gbn,naphthalene-1,8-dicarboximide,gi0tv19gbn PubChem CID: 66491 IUPAC Name: benzo[de]isoquinoline-1,3-dione SMILES: C1=CC2=C3C(=C1)C(=O)NC(=O)C3=CC=C2

PubChem CID 66491
CAS 81-83-4
Molecular Weight (g/mol) 197.193
MDL Number MFCD00006920
SMILES C1=CC2=C3C(=C1)C(=O)NC(=O)C3=CC=C2
Synonym 1,8-naphthalimide,naphthalimide,1h-benz de isoquinoline-1,3 2h-dione,1h-benzo de isoquinoline-1,3 2h-dione,1,8-naphthalenedicarboximide,benzo de isoquinoline-1,3-dione,unii-gi0tv19gbn,naphthalene-1,8-dicarboximide,gi0tv19gbn
IUPAC Name benzo[de]isoquinoline-1,3-dione
InChI Key XJHABGPPCLHLLV-UHFFFAOYSA-N
Molecular Formula C12H7NO2
9

3,4-Dihydro-2H-isoquinolin-1-one, 98%, Thermo Scientific Chemicals

CAS: 1196-38-9 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.18 InChI Key: YWPMKTWUFVOFPL-UHFFFAOYSA-N Synonym: 3,4-dihydroisoquinolin-1 2h-one,1,2,3,4-tetrahydroisoquinolin-1-one,1 2h-isoquinolinone, 3,4-dihydro,3,4-dihydroisocarbostyril,1-oxo-1,2,3,4-tetrahydroisoquinoline,3,4-dihydro-1 2h-isoquinolinone,3,4-dihydro-1h-isoquinolin-1-one,dihydroisoquinolone,3nuu,1-keto-1,2,3,4-tetrahydroisoquinoline PubChem CID: 150896 IUPAC Name: 3,4-dihydro-2H-isoquinolin-1-one SMILES: C1CNC(=O)C2=CC=CC=C21

PubChem CID 150896
CAS 1196-38-9
Molecular Weight (g/mol) 147.18
SMILES C1CNC(=O)C2=CC=CC=C21
Synonym 3,4-dihydroisoquinolin-1 2h-one,1,2,3,4-tetrahydroisoquinolin-1-one,1 2h-isoquinolinone, 3,4-dihydro,3,4-dihydroisocarbostyril,1-oxo-1,2,3,4-tetrahydroisoquinoline,3,4-dihydro-1 2h-isoquinolinone,3,4-dihydro-1h-isoquinolin-1-one,dihydroisoquinolone,3nuu,1-keto-1,2,3,4-tetrahydroisoquinoline
IUPAC Name 3,4-dihydro-2H-isoquinolin-1-one
InChI Key YWPMKTWUFVOFPL-UHFFFAOYSA-N
Molecular Formula C9H9NO
10

Isocarbostyril, 98%, Thermo Scientific Chemicals

CAS: 491-30-5 Molecular Formula: C9H7NO Molecular Weight (g/mol): 145.16 InChI Key: VDBNYAPERZTOOF-UHFFFAOYSA-N Synonym: 1-hydroxyisoquinoline,isoquinolin-1 2h-one,isocarbostyril,1-isoquinolinol,1 2h-isoquinolinone,isoquinolin-1-ol,isoquinolin-1-one,1 2h-isoquinolone,1-hydroxyisoquinolin,isoquinolinol PubChem CID: 10284 ChEBI: CHEBI:18350 IUPAC Name: 2H-isoquinolin-1-one SMILES: C1=CC=C2C(=C1)C=CNC2=O

PubChem CID 10284
CAS 491-30-5
Molecular Weight (g/mol) 145.16
ChEBI CHEBI:18350
SMILES C1=CC=C2C(=C1)C=CNC2=O
Synonym 1-hydroxyisoquinoline,isoquinolin-1 2h-one,isocarbostyril,1-isoquinolinol,1 2h-isoquinolinone,isoquinolin-1-ol,isoquinolin-1-one,1 2h-isoquinolone,1-hydroxyisoquinolin,isoquinolinol
IUPAC Name 2H-isoquinolin-1-one
InChI Key VDBNYAPERZTOOF-UHFFFAOYSA-N
Molecular Formula C9H7NO
11

Naloxone Hydrochloride, Dihydrate, USP, 98-100.5%, Spectrum™ Chemical
SDP

CAS: 51481-60-8

CAS 51481-60-8
12

N,N'-Bis(3,5-dimethylphenyl)-3,4,9,10-perylenetetracarboxylic Diimide 95.0+%, TCI America™
SDP

CAS: 4948-15-6 Molecular Formula: C40H26N2O4 Molecular Weight (g/mol): 598.658 MDL Number: MFCD01318472 InChI Key: FDXVHZCFTCIKDD-UHFFFAOYSA-N Synonym: Pigment Red 149 PubChem CID: 62555 SMILES: CC1=CC(=CC(=C1)N2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C6=C7C5=CC=C8C7=C(C=C6)C(=O)N(C8=O)C9=CC(=CC(=C9)C)C)C2=O)C

PubChem CID 62555
CAS 4948-15-6
Molecular Weight (g/mol) 598.658
MDL Number MFCD01318472
SMILES CC1=CC(=CC(=C1)N2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C6=C7C5=CC=C8C7=C(C=C6)C(=O)N(C8=O)C9=CC(=CC(=C9)C)C)C2=O)C
Synonym Pigment Red 149
InChI Key FDXVHZCFTCIKDD-UHFFFAOYSA-N
Molecular Formula C40H26N2O4
13

N,N'-Bis(4-methoxyphenyl)-3,4,9,10-perylenetetracarboxylic Diimide 97.0+%, TCI America™
SDP

CAS: 6424-77-7 Molecular Formula: C38H22N2O6 Molecular Weight (g/mol): 602.602 MDL Number: MFCD00071978 InChI Key: VZFVREBNFMQPSI-UHFFFAOYSA-N Synonym: Pigment Red 190 PubChem CID: 80898 SMILES: COC1=CC=C(C=C1)N2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C6=C7C5=CC=C8C7=C(C=C6)C(=O)N(C8=O)C9=CC=C(C=C9)OC)C2=O

PubChem CID 80898
CAS 6424-77-7
Molecular Weight (g/mol) 602.602
MDL Number MFCD00071978
SMILES COC1=CC=C(C=C1)N2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C6=C7C5=CC=C8C7=C(C=C6)C(=O)N(C8=O)C9=CC=C(C=C9)OC)C2=O
Synonym Pigment Red 190
InChI Key VZFVREBNFMQPSI-UHFFFAOYSA-N
Molecular Formula C38H22N2O6
14

N,N'-Ditridecyl-3,4,9,10-perylenetetracarboxylic Diimide 98.0+%, TCI America™
SDP

CAS: 95689-92-2 Molecular Formula: C50H62N2O4 Molecular Weight (g/mol): 755.056 MDL Number: MFCD00134587 InChI Key: XCAZCFDCJHGAIT-UHFFFAOYSA-N Synonym: PTCDI-C13 PubChem CID: 3295215 SMILES: CCCCCCCCCCCCCN1C(=O)C2=C3C(=CC=C4C3=C(C=C2)C5=C6C4=CC=C7C6=C(C=C5)C(=O)N(C7=O)CCCCCCCCCCCCC)C1=O

PubChem CID 3295215
CAS 95689-92-2
Molecular Weight (g/mol) 755.056
MDL Number MFCD00134587
SMILES CCCCCCCCCCCCCN1C(=O)C2=C3C(=CC=C4C3=C(C=C2)C5=C6C4=CC=C7C6=C(C=C5)C(=O)N(C7=O)CCCCCCCCCCCCC)C1=O
Synonym PTCDI-C13
InChI Key XCAZCFDCJHGAIT-UHFFFAOYSA-N
Molecular Formula C50H62N2O4
15

GRI 977143, Tocris Bioscience™

CAS: 325850-81-5 Molecular Formula: C22H17NO4S Molecular Weight (g/mol): 391.441 InChI Key: GMVZUCHUOYUMLL-UHFFFAOYSA-N Synonym: unii-m3l07r4zep,m3l07r4zep,2-3-1,3-dioxo-1h-benz de isoquinolin-2 3h-yl propyl thio benzoic acid,2-3-1,3-dioxo-1h-benzo de isoquinolin-2 3h-yl propyl thio benzoic acid,2-3-1,3-dioxo-1h benzo de isoquinolin-2 3h-yl propyl thio benzoic acid,2-3-1,3-dioxo-1h-benzo de isoquinolin-2 3h-yl propyl sulfanyl benzoic acid,2-3-2,4-dioxo-3-azatricyclo 7.3.1.0?, 1 3 trideca-1 13 ,5,7,9,11-pentaen-3-yl propyl sulfanyl benzoic acid,2-3-1,3-dioxo-1h,3h-benzo de isoquinolin-2-yl-propylsulfanyl-benzoic acid PubChem CID: 3114900 IUPAC Name: 2-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propylsulfanyl]benzoic acid SMILES: C1=CC=C(C(=C1)C(=O)O)SCCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O

PubChem CID 3114900
CAS 325850-81-5
Molecular Weight (g/mol) 391.441
SMILES C1=CC=C(C(=C1)C(=O)O)SCCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O
Synonym unii-m3l07r4zep,m3l07r4zep,2-3-1,3-dioxo-1h-benz de isoquinolin-2 3h-yl propyl thio benzoic acid,2-3-1,3-dioxo-1h-benzo de isoquinolin-2 3h-yl propyl thio benzoic acid,2-3-1,3-dioxo-1h benzo de isoquinolin-2 3h-yl propyl thio benzoic acid,2-3-1,3-dioxo-1h-benzo de isoquinolin-2 3h-yl propyl sulfanyl benzoic acid,2-3-2,4-dioxo-3-azatricyclo 7.3.1.0?, 1 3 trideca-1 13 ,5,7,9,11-pentaen-3-yl propyl sulfanyl benzoic acid,2-3-1,3-dioxo-1h,3h-benzo de isoquinolin-2-yl-propylsulfanyl-benzoic acid
IUPAC Name 2-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propylsulfanyl]benzoic acid
InChI Key GMVZUCHUOYUMLL-UHFFFAOYSA-N
Molecular Formula C22H17NO4S