(3R)-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-3-methylpentanamide

C15H17ClN2O2 — CID 143649216

IUPAC(3R)-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-3-methylpentanamide
SMILESCC[C@@H](C)CC(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl
InChIInChI=1S/C15H17ClN2O2/c1-3-9(2)6-14(19)18-13-7-10-4-5-17-15(20)11(10)8-12(13)16/h4-5,7-9H,3,6H2,1-2H3,(H,17,20)(H,18,19)/t9-/m1/s1
InChIKeyDDWNTINMRQWLBN-SECBINFHSA-N
MW292.77 g/mol
LogP3.56
Rot. Bonds4

About (3R)-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-3-methylpentanamide

(3R)-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-3-methylpentanamide (PubChem CID 143649216) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is (3R)-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-3-methylpentanamide.

Molecular Properties

Compound Name(3R)-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-3-methylpentanamide
PubChem CID143649216
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name(3R)-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-3-methylpentanamide
SMILESCC[C@@H](C)CC(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl
InChIInChI=1S/C15H17ClN2O2/c1-3-9(2)6-14(19)18-13-7-10-4-5-17-15(20)11(10)8-12(13)16/h4-5,7-9H,3,6H2,1-2H3,(H,17,20)(H,18,19)/t9-/m1/s1
InChIKeyDDWNTINMRQWLBN-SECBINFHSA-N
XLogP3.56
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3R)-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-3-methylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-(methylamino)propanamide
CID 138521251
2-amino-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)propanamide;benzene
CID 143649167
2-(benzylamino)-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)acetamide
CID 46890138
N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-phenyl-2-propan-2-yloxyacetamide
CID 68874486
3-[(7-chloro-1-oxo-2H-isoquinolin-6-yl)amino]-3-oxo-2-phenylpropanoic acid
CID 59756559
2-amino-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-3-naphthalen-1-ylpropanamide
CID 68875523
2-amino-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-3-cyclohexylpropanamide
CID 68873926
N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)piperazine-2-carboxamide
CID 59756671
N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-(cyclopropylmethylamino)-2-phenylacetamide
CID 59756556
N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-methyl-4-nitrobenzamide
CID 59756614
(3S)-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)piperidine-3-carboxamide
CID 59756651
N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
CID 59756654

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-3-methylpentanamide?
The IUPAC name of (3R)-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-3-methylpentanamide (CID 143649216) is (3R)-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-3-methylpentanamide.
What is the SMILES notation for (3R)-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-3-methylpentanamide?
The canonical SMILES for (3R)-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-3-methylpentanamide is CC[C@@H](C)CC(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl.
What is the InChIKey of (3R)-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-3-methylpentanamide?
The InChIKey is DDWNTINMRQWLBN-SECBINFHSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-3-9(2)6-14(19)18-13-7-10-4-5-17-15(20)11(10)8-12(13)16/h4-5,7-9H,3,6H2,1-2H3,(H,17,20)(H,18,19)/t9-/m1/s1.
What are the key properties of (3R)-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-3-methylpentanamide?
(3R)-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-3-methylpentanamide has a molecular weight of 292.77 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-3-methylpentanamide is sourced from PubChem (CID 143649216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).