1-[(3-chlorophenyl)methyl]-3,6-dimethoxy-4-phenylquinolin-2-one

C24H20ClNO3 — CID 142438199

IUPAC1-[(3-chlorophenyl)methyl]-3,6-dimethoxy-4-phenylquinolin-2-one
SMILESCOc1ccc2c(c1)c(-c1ccccc1)c(OC)c(=O)n2Cc1cccc(Cl)c1
InChIInChI=1S/C24H20ClNO3/c1-28-19-11-12-21-20(14-19)22(17-8-4-3-5-9-17)23(29-2)24(27)26(21)15-16-7-6-10-18(25)13-16/h3-14H,15H2,1-2H3
InChIKeyJSEVWPZGNXEUIC-UHFFFAOYSA-N
MW405.88 g/mol
LogP5.39
Rot. Bonds5

About 1-[(3-chlorophenyl)methyl]-3,6-dimethoxy-4-phenylquinolin-2-one

1-[(3-chlorophenyl)methyl]-3,6-dimethoxy-4-phenylquinolin-2-one (PubChem CID 142438199) has the molecular formula C24H20ClNO3 and a molecular weight of 405.88 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-3,6-dimethoxy-4-phenylquinolin-2-one.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-3,6-dimethoxy-4-phenylquinolin-2-one
PubChem CID142438199
Molecular FormulaC24H20ClNO3
Molecular Weight405.88 g/mol
Exact Mass405.11
IUPAC Name1-[(3-chlorophenyl)methyl]-3,6-dimethoxy-4-phenylquinolin-2-one
SMILESCOc1ccc2c(c1)c(-c1ccccc1)c(OC)c(=O)n2Cc1cccc(Cl)c1
InChIInChI=1S/C24H20ClNO3/c1-28-19-11-12-21-20(14-19)22(17-8-4-3-5-9-17)23(29-2)24(27)26(21)15-16-7-6-10-18(25)13-16/h3-14H,15H2,1-2H3
InChIKeyJSEVWPZGNXEUIC-UHFFFAOYSA-N
XLogP5.39
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.88
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(3-chlorophenyl)methyl]-3,6-dimethoxy-4-phenylquinolin-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

6-chloro-1-[(3,4-dichlorophenyl)methyl]-3-methoxy-4-phenylquinolin-2-one
CID 142438165
1-[(3-chlorophenyl)methyl]-8-fluoro-3-methoxy-4-phenylquinolin-2-one
CID 142438240
1-[(3,4-difluorophenyl)methyl]-3-methoxy-4-phenylquinolin-2-one
CID 142438213
3-methoxy-4-phenyl-1-[[3-(trifluoromethyl)phenyl]methyl]quinolin-2-one
CID 142438224
3-(benzenesulfonyl)-1-[(3-chlorophenyl)methyl]-6-methoxyquinolin-4-one
CID 2136742
4-(4-bromophenyl)-1-[(4-chlorophenyl)methyl]-3-methoxyquinolin-2-one
CID 142438166
1-[(3-chlorophenyl)methyl]-6,7-dimethoxy-3-phenylquinazoline-2,4-dione
CID 17172499
3-hydroxy-4-(3-hydroxyphenyl)-1-[(4-methoxyphenyl)methyl]quinolin-2-one
CID 101462188
3-(3-chlorophenyl)-8-methoxy-1-[(4-methoxyphenyl)methyl]-5-methylpyrimido[5,4-b]indole-2,4-dione
CID 20914586
1-benzyl-2-ethyl-5-methoxyindol-3-amine
CID 58986334
9-benzyl-6-methoxy-3-methylpyrimido[4,5-b]indol-4-one
CID 23857129
1-[(4-bromophenyl)methyl]-4-(4-fluorophenyl)-3-methoxyquinolin-2-one
CID 142438230

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-3,6-dimethoxy-4-phenylquinolin-2-one?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-3,6-dimethoxy-4-phenylquinolin-2-one (CID 142438199) is 1-[(3-chlorophenyl)methyl]-3,6-dimethoxy-4-phenylquinolin-2-one.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-3,6-dimethoxy-4-phenylquinolin-2-one?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-3,6-dimethoxy-4-phenylquinolin-2-one is COc1ccc2c(c1)c(-c1ccccc1)c(OC)c(=O)n2Cc1cccc(Cl)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-3,6-dimethoxy-4-phenylquinolin-2-one?
The InChIKey is JSEVWPZGNXEUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClNO3/c1-28-19-11-12-21-20(14-19)22(17-8-4-3-5-9-17)23(29-2)24(27)26(21)15-16-7-6-10-18(25)13-16/h3-14H,15H2,1-2H3.
What are the key properties of 1-[(3-chlorophenyl)methyl]-3,6-dimethoxy-4-phenylquinolin-2-one?
1-[(3-chlorophenyl)methyl]-3,6-dimethoxy-4-phenylquinolin-2-one has a molecular weight of 405.88 g/mol, XLogP of 5.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-3,6-dimethoxy-4-phenylquinolin-2-one is sourced from PubChem (CID 142438199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).