1-benzyl-4-(3-chlorophenyl)quinolin-2-one

C22H16ClNO — CID 166442707

IUPAC1-benzyl-4-(3-chlorophenyl)quinolin-2-one
SMILESO=c1cc(-c2cccc(Cl)c2)c2ccccc2n1Cc1ccccc1
InChIInChI=1S/C22H16ClNO/c23-18-10-6-9-17(13-18)20-14-22(25)24(15-16-7-2-1-3-8-16)21-12-5-4-11-19(20)21/h1-14H,15H2
InChIKeyFKHGKWCOCJCXNF-UHFFFAOYSA-N
MW345.83 g/mol
LogP5.37
Rot. Bonds3

About 1-benzyl-4-(3-chlorophenyl)quinolin-2-one

1-benzyl-4-(3-chlorophenyl)quinolin-2-one (PubChem CID 166442707) has the molecular formula C22H16ClNO and a molecular weight of 345.83 g/mol. Its IUPAC name is 1-benzyl-4-(3-chlorophenyl)quinolin-2-one.

Molecular Properties

Compound Name1-benzyl-4-(3-chlorophenyl)quinolin-2-one
PubChem CID166442707
Molecular FormulaC22H16ClNO
Molecular Weight345.83 g/mol
Exact Mass345.09
IUPAC Name1-benzyl-4-(3-chlorophenyl)quinolin-2-one
SMILESO=c1cc(-c2cccc(Cl)c2)c2ccccc2n1Cc1ccccc1
InChIInChI=1S/C22H16ClNO/c23-18-10-6-9-17(13-18)20-14-22(25)24(15-16-7-2-1-3-8-16)21-12-5-4-11-19(20)21/h1-14H,15H2
InChIKeyFKHGKWCOCJCXNF-UHFFFAOYSA-N
XLogP5.37
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.83
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-benzyl-4-(3-chlorophenyl)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

2-(2-oxo-4-phenylquinolin-1-yl)acetic acid
CID 13180338
4-benzyl-1-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 7125865
5-benzyl-8-chlorophenanthridin-6-one
CID 71506154
5,7-dibenzylindolo[2,3-b]carbazole-6,12-dione
CID 101168915
4-(3-chlorophenyl)-1-[hydroxy(dipyridin-3-yl)methyl]quinolin-2-one
CID 70149602
6-(4-chlorobenzoyl)-4-(3-chlorophenyl)-1-(cyclopropylmethyl)quinolin-2-one
CID 18379023
4-(1,3-benzodioxol-5-yl)-1-[(4-methoxyphenyl)methyl]quinolin-2-one
CID 141068273
1-benzyl-4-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)quinolin-2-one
CID 102018328
1-chloro-3-(2-phenylphenyl)benzene
CID 69293962
1-benzyl-4-prop-2-ynoxyquinolin-2-one
CID 10085571
9-[[3-(carbazol-9-ylmethyl)phenyl]methyl]carbazole
CID 67781407
1-benzyl-2-phenylquinoline-4-thione
CID 11381842

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(3-chlorophenyl)quinolin-2-one?
The IUPAC name of 1-benzyl-4-(3-chlorophenyl)quinolin-2-one (CID 166442707) is 1-benzyl-4-(3-chlorophenyl)quinolin-2-one.
What is the SMILES notation for 1-benzyl-4-(3-chlorophenyl)quinolin-2-one?
The canonical SMILES for 1-benzyl-4-(3-chlorophenyl)quinolin-2-one is O=c1cc(-c2cccc(Cl)c2)c2ccccc2n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-4-(3-chlorophenyl)quinolin-2-one?
The InChIKey is FKHGKWCOCJCXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClNO/c23-18-10-6-9-17(13-18)20-14-22(25)24(15-16-7-2-1-3-8-16)21-12-5-4-11-19(20)21/h1-14H,15H2.
What are the key properties of 1-benzyl-4-(3-chlorophenyl)quinolin-2-one?
1-benzyl-4-(3-chlorophenyl)quinolin-2-one has a molecular weight of 345.83 g/mol, XLogP of 5.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(3-chlorophenyl)quinolin-2-one is sourced from PubChem (CID 166442707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).