2-cyclopentyl-N-[(3-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide

C24H28N2O3 — CID 53120795

IUPAC2-cyclopentyl-N-[(3-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide
SMILESCOc1cccc(CNC(=O)C2(C)Cc3ccccc3C(=O)N2C2CCCC2)c1
InChIInChI=1S/C24H28N2O3/c1-24(23(28)25-16-17-8-7-12-20(14-17)29-2)15-18-9-3-6-13-21(18)22(27)26(24)19-10-4-5-11-19/h3,6-9,12-14,19H,4-5,10-11,15-16H2,1-2H3,(H,25,28)
InChIKeyOZBZUWQFBGTASK-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.71
Rot. Bonds5

About 2-cyclopentyl-N-[(3-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide

2-cyclopentyl-N-[(3-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide (PubChem CID 53120795) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 2-cyclopentyl-N-[(3-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[(3-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide
PubChem CID53120795
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name2-cyclopentyl-N-[(3-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide
SMILESCOc1cccc(CNC(=O)C2(C)Cc3ccccc3C(=O)N2C2CCCC2)c1
InChIInChI=1S/C24H28N2O3/c1-24(23(28)25-16-17-8-7-12-20(14-17)29-2)15-18-9-3-6-13-21(18)22(27)26(24)19-10-4-5-11-19/h3,6-9,12-14,19H,4-5,10-11,15-16H2,1-2H3,(H,25,28)
InChIKeyOZBZUWQFBGTASK-UHFFFAOYSA-N
XLogP3.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-benzyl-2-cyclohexyl-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide
CID 95089593
2-[(3-methoxyphenyl)methyl]-3-methyl-N-[(2-methylphenyl)methyl]-1-oxo-4H-isoquinoline-3-carboxamide
CID 53120656
(3R)-2-[(3-methoxyphenyl)methyl]-3-methyl-N-[(2-methylphenyl)methyl]-1-oxo-4H-isoquinoline-3-carboxamide
CID 95089385
2-[(3-ethoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide
CID 53011575
(3R)-N,2-di(cycloheptyl)-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide
CID 92667984
(3R)-N-cyclohexyl-2-cyclopentyl-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide
CID 92668090
N-cyclohexyl-2-cyclopentyl-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide
CID 46260775
2-cyclohexyl-N-cyclooctyl-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide
CID 20885760
(3R)-2-[(3,5-dimethoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide
CID 93071568
2-(3,5-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide
CID 53120630
(3R)-2-(3,5-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide
CID 95089332
(3R)-N-[(4-methoxyphenyl)methyl]-3-methyl-2-[(3-methylphenyl)methyl]-1-oxo-4H-isoquinoline-3-carboxamide
CID 95089379

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[(3-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide?
The IUPAC name of 2-cyclopentyl-N-[(3-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide (CID 53120795) is 2-cyclopentyl-N-[(3-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide.
What is the SMILES notation for 2-cyclopentyl-N-[(3-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide?
The canonical SMILES for 2-cyclopentyl-N-[(3-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide is COc1cccc(CNC(=O)C2(C)Cc3ccccc3C(=O)N2C2CCCC2)c1.
What is the InChIKey of 2-cyclopentyl-N-[(3-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide?
The InChIKey is OZBZUWQFBGTASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-24(23(28)25-16-17-8-7-12-20(14-17)29-2)15-18-9-3-6-13-21(18)22(27)26(24)19-10-4-5-11-19/h3,6-9,12-14,19H,4-5,10-11,15-16H2,1-2H3,(H,25,28).
What are the key properties of 2-cyclopentyl-N-[(3-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide?
2-cyclopentyl-N-[(3-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[(3-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide is sourced from PubChem (CID 53120795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).