(3R)-N-cyclohexyl-2-cyclopentyl-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide

C22H30N2O2 — CID 92668090

IUPAC(3R)-N-cyclohexyl-2-cyclopentyl-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide
SMILESC[C@]1(C(=O)NC2CCCCC2)Cc2ccccc2C(=O)N1C1CCCC1
InChIInChI=1S/C22H30N2O2/c1-22(21(26)23-17-10-3-2-4-11-17)15-16-9-5-8-14-19(16)20(25)24(22)18-12-6-7-13-18/h5,8-9,14,17-18H,2-4,6-7,10-13,15H2,1H3,(H,23,26)/t22-/m1/s1
InChIKeyBWEQNBSCWNHECL-JOCHJYFZSA-N
MW354.49 g/mol
LogP3.84
Rot. Bonds3

About (3R)-N-cyclohexyl-2-cyclopentyl-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide

(3R)-N-cyclohexyl-2-cyclopentyl-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide (PubChem CID 92668090) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is (3R)-N-cyclohexyl-2-cyclopentyl-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-cyclohexyl-2-cyclopentyl-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide
PubChem CID92668090
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name(3R)-N-cyclohexyl-2-cyclopentyl-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide
SMILESC[C@]1(C(=O)NC2CCCCC2)Cc2ccccc2C(=O)N1C1CCCC1
InChIInChI=1S/C22H30N2O2/c1-22(21(26)23-17-10-3-2-4-11-17)15-16-9-5-8-14-19(16)20(25)24(22)18-12-6-7-13-18/h5,8-9,14,17-18H,2-4,6-7,10-13,15H2,1H3,(H,23,26)/t22-/m1/s1
InChIKeyBWEQNBSCWNHECL-JOCHJYFZSA-N
XLogP3.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-2-cyclopentyl-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide
CID 46260775
(3R)-N,2-di(cycloheptyl)-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide
CID 92667984
2-cyclohexyl-N-cyclooctyl-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide
CID 20885760
(3S)-N-benzyl-2-cyclohexyl-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide
CID 95089593
N-cyclooctyl-3-methyl-1-oxo-2-propyl-4H-isoquinoline-3-carboxamide
CID 20885771
(3S)-2-benzyl-N-cyclohexyl-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide
CID 92701404
N-cyclooctyl-3-methyl-1-oxo-2-(2-phenylethyl)-4H-isoquinoline-3-carboxamide
CID 20885762
(3S)-2-[2-(azepan-1-yl)ethyl]-N-cyclooctyl-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide
CID 92668065
(3S)-2-[(2-chlorophenyl)methyl]-N-cyclooctyl-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide
CID 92668043
(3S)-N-cyclohexyl-2-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide
CID 92734756
2-cyclopentyl-N-[(3-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide
CID 53120795
N-cycloheptyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide
CID 20885745

Frequently Asked Questions

What is the IUPAC name of (3R)-N-cyclohexyl-2-cyclopentyl-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide?
The IUPAC name of (3R)-N-cyclohexyl-2-cyclopentyl-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide (CID 92668090) is (3R)-N-cyclohexyl-2-cyclopentyl-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide.
What is the SMILES notation for (3R)-N-cyclohexyl-2-cyclopentyl-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide?
The canonical SMILES for (3R)-N-cyclohexyl-2-cyclopentyl-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide is C[C@]1(C(=O)NC2CCCCC2)Cc2ccccc2C(=O)N1C1CCCC1.
What is the InChIKey of (3R)-N-cyclohexyl-2-cyclopentyl-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide?
The InChIKey is BWEQNBSCWNHECL-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-22(21(26)23-17-10-3-2-4-11-17)15-16-9-5-8-14-19(16)20(25)24(22)18-12-6-7-13-18/h5,8-9,14,17-18H,2-4,6-7,10-13,15H2,1H3,(H,23,26)/t22-/m1/s1.
What are the key properties of (3R)-N-cyclohexyl-2-cyclopentyl-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide?
(3R)-N-cyclohexyl-2-cyclopentyl-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide has a molecular weight of 354.49 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-cyclohexyl-2-cyclopentyl-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide is sourced from PubChem (CID 92668090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).