1-cyclopentyl-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one

C21H28N2O4 — CID 55359834

IUPAC1-cyclopentyl-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one
SMILESCOc1cc2c(cc1OC)CN(C(=O)C1CC(=O)N(C3CCCC3)C1)CC2
InChIInChI=1S/C21H28N2O4/c1-26-18-9-14-7-8-22(12-15(14)10-19(18)27-2)21(25)16-11-20(24)23(13-16)17-5-3-4-6-17/h9-10,16-17H,3-8,11-13H2,1-2H3
InChIKeyQDYYKQKSCMKOCU-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.38
Rot. Bonds4

About 1-cyclopentyl-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one

1-cyclopentyl-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one (PubChem CID 55359834) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is 1-cyclopentyl-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-cyclopentyl-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one
PubChem CID55359834
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name1-cyclopentyl-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one
SMILESCOc1cc2c(cc1OC)CN(C(=O)C1CC(=O)N(C3CCCC3)C1)CC2
InChIInChI=1S/C21H28N2O4/c1-26-18-9-14-7-8-22(12-15(14)10-19(18)27-2)21(25)16-11-20(24)23(13-16)17-5-3-4-6-17/h9-10,16-17H,3-8,11-13H2,1-2H3
InChIKeyQDYYKQKSCMKOCU-UHFFFAOYSA-N
XLogP2.38
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-1-cyclopropyl-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one
CID 94018225
4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(3-methylbutyl)pyrrolidin-2-one
CID 113185612
5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one
CID 110689690
(4R)-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(2-fluorophenyl)pyrrolidin-2-one
CID 38409779
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone
CID 55712640
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(2R)-piperidin-2-yl]methanone;hydrochloride
CID 119679753
6-[(3R)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]-N,N,1-trimethyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 97121655
(4S)-1-cyclopentyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9364634
(4R)-1-cyclopentyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9364632
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclohexane-1-carboxylic acid
CID 132590660
1-cyclohexyl-4-(5-hydroxy-1,3-dihydroisoindole-2-carbonyl)pyrrolidin-2-one
CID 146108040
1-cyclohexyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 4251317

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-cyclopentyl-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one (CID 55359834) is 1-cyclopentyl-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-cyclopentyl-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-cyclopentyl-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one is COc1cc2c(cc1OC)CN(C(=O)C1CC(=O)N(C3CCCC3)C1)CC2.
What is the InChIKey of 1-cyclopentyl-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one?
The InChIKey is QDYYKQKSCMKOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4/c1-26-18-9-14-7-8-22(12-15(14)10-19(18)27-2)21(25)16-11-20(24)23(13-16)17-5-3-4-6-17/h9-10,16-17H,3-8,11-13H2,1-2H3.
What are the key properties of 1-cyclopentyl-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one?
1-cyclopentyl-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one has a molecular weight of 372.47 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 55359834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).