1-benzyl-4-methylquinolin-2-one

C17H15NO — CID 1480959

IUPAC1-benzyl-4-methylquinolin-2-one
SMILESCc1cc(=O)n(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C17H15NO/c1-13-11-17(19)18(12-14-7-3-2-4-8-14)16-10-6-5-9-15(13)16/h2-11H,12H2,1H3
InChIKeyVSXSVQXCWYZKHV-UHFFFAOYSA-N
MW249.31 g/mol
LogP3.36
Rot. Bonds2

About 1-benzyl-4-methylquinolin-2-one

1-benzyl-4-methylquinolin-2-one (PubChem CID 1480959) has the molecular formula C17H15NO and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-benzyl-4-methylquinolin-2-one.

Molecular Properties

Compound Name1-benzyl-4-methylquinolin-2-one
PubChem CID1480959
Molecular FormulaC17H15NO
Molecular Weight249.31 g/mol
Exact Mass249.12
IUPAC Name1-benzyl-4-methylquinolin-2-one
SMILESCc1cc(=O)n(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C17H15NO/c1-13-11-17(19)18(12-14-7-3-2-4-8-14)16-10-6-5-9-15(13)16/h2-11H,12H2,1H3
InChIKeyVSXSVQXCWYZKHV-UHFFFAOYSA-N
XLogP3.36
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-benzyl-4-methylquinolin-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

Fentanyl
CID 3345
Pirfenidone
CID 40632
Crotamiton
CID 2883
3-Methylfentanyl
CID 61996
N-Phenyl-N-(1-(2-phenylethyl)-4-piperidinyl)butanamide
CID 621174
alpha-Methylfentanyl
CID 62281
N-Ethyl-o-crotonotoluidide
CID 688020
N-(1-Benzyl-4-piperidyl)-N-phenylpropanamide
CID 252141
3-Methylfentanyl, cis-
CID 3041260
N-(4-fluorophenyl)-N-(1-(2-phenylethyl)-4-piperidinyl)propanamide
CID 62300
Acetylfentanyl
CID 527015
4-Methylquinolin-2-ol
CID 69088

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-methylquinolin-2-one?
The IUPAC name of 1-benzyl-4-methylquinolin-2-one (CID 1480959) is 1-benzyl-4-methylquinolin-2-one.
What is the SMILES notation for 1-benzyl-4-methylquinolin-2-one?
The canonical SMILES for 1-benzyl-4-methylquinolin-2-one is Cc1cc(=O)n(Cc2ccccc2)c2ccccc12.
What is the InChIKey of 1-benzyl-4-methylquinolin-2-one?
The InChIKey is VSXSVQXCWYZKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO/c1-13-11-17(19)18(12-14-7-3-2-4-8-14)16-10-6-5-9-15(13)16/h2-11H,12H2,1H3.
What are the key properties of 1-benzyl-4-methylquinolin-2-one?
1-benzyl-4-methylquinolin-2-one has a molecular weight of 249.31 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-methylquinolin-2-one is sourced from PubChem (CID 1480959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).