4-methyl-7-[(3R)-3-methylpiperazine-1-carbonyl]-1H-quinolin-2-one

C16H19N3O2 — CID 166298556

IUPAC4-methyl-7-[(3R)-3-methylpiperazine-1-carbonyl]-1H-quinolin-2-one
SMILESCc1cc(=O)[nH]c2cc(C(=O)N3CCN[C@H](C)C3)ccc12
InChIInChI=1S/C16H19N3O2/c1-10-7-15(20)18-14-8-12(3-4-13(10)14)16(21)19-6-5-17-11(2)9-19/h3-4,7-8,11,17H,5-6,9H2,1-2H3,(H,18,20)/t11-/m1/s1
InChIKeyICAVGYAEFPUNFM-LLVKDONJSA-N
MW285.35 g/mol
LogP1.27
Rot. Bonds1

About 4-methyl-7-[(3R)-3-methylpiperazine-1-carbonyl]-1H-quinolin-2-one

4-methyl-7-[(3R)-3-methylpiperazine-1-carbonyl]-1H-quinolin-2-one (PubChem CID 166298556) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-methyl-7-[(3R)-3-methylpiperazine-1-carbonyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name4-methyl-7-[(3R)-3-methylpiperazine-1-carbonyl]-1H-quinolin-2-one
PubChem CID166298556
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name4-methyl-7-[(3R)-3-methylpiperazine-1-carbonyl]-1H-quinolin-2-one
SMILESCc1cc(=O)[nH]c2cc(C(=O)N3CCN[C@H](C)C3)ccc12
InChIInChI=1S/C16H19N3O2/c1-10-7-15(20)18-14-8-12(3-4-13(10)14)16(21)19-6-5-17-11(2)9-19/h3-4,7-8,11,17H,5-6,9H2,1-2H3,(H,18,20)/t11-/m1/s1
InChIKeyICAVGYAEFPUNFM-LLVKDONJSA-N
XLogP1.27
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-methyl-7-[(3R)-3-methylpiperazine-1-carbonyl]-1H-quinolin-2-one 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

(4-chloro-3-methylphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 113397126
(2,3-dimethyl-1H-indol-5-yl)-(3-methylpiperazin-1-yl)methanone
CID 65418753
(4-fluoro-3-methylphenyl)-(3-methylpiperazin-1-yl)methanone
CID 65417667
4-methyl-5-(3-methylpiperazine-1-carbonyl)-1H-pyridin-2-one
CID 119580359
(3-hydroxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81426598
(3-chloro-4-fluorophenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 82875734
(3,4-dimethoxyphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81428147
(6-bromonaphthalen-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 115353693
(3-bromo-4-chlorophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 102612021
(3,5-dimethylphenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119578061
1-[4-(3-methylpiperazine-1-carbonyl)phenyl]ethanone;hydrochloride
CID 119576231
N-[2-methyl-5-(3-methylpiperazine-1-carbonyl)phenyl]benzamide;hydrochloride
CID 119579469

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-[(3R)-3-methylpiperazine-1-carbonyl]-1H-quinolin-2-one?
The IUPAC name of 4-methyl-7-[(3R)-3-methylpiperazine-1-carbonyl]-1H-quinolin-2-one (CID 166298556) is 4-methyl-7-[(3R)-3-methylpiperazine-1-carbonyl]-1H-quinolin-2-one.
What is the SMILES notation for 4-methyl-7-[(3R)-3-methylpiperazine-1-carbonyl]-1H-quinolin-2-one?
The canonical SMILES for 4-methyl-7-[(3R)-3-methylpiperazine-1-carbonyl]-1H-quinolin-2-one is Cc1cc(=O)[nH]c2cc(C(=O)N3CCN[C@H](C)C3)ccc12.
What is the InChIKey of 4-methyl-7-[(3R)-3-methylpiperazine-1-carbonyl]-1H-quinolin-2-one?
The InChIKey is ICAVGYAEFPUNFM-LLVKDONJSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-10-7-15(20)18-14-8-12(3-4-13(10)14)16(21)19-6-5-17-11(2)9-19/h3-4,7-8,11,17H,5-6,9H2,1-2H3,(H,18,20)/t11-/m1/s1.
What are the key properties of 4-methyl-7-[(3R)-3-methylpiperazine-1-carbonyl]-1H-quinolin-2-one?
4-methyl-7-[(3R)-3-methylpiperazine-1-carbonyl]-1H-quinolin-2-one has a molecular weight of 285.35 g/mol, XLogP of 1.27, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-[(3R)-3-methylpiperazine-1-carbonyl]-1H-quinolin-2-one is sourced from PubChem (CID 166298556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).