1-[(3,4-difluorophenyl)methyl]-3-methoxy-4-phenylquinolin-2-one

C23H17F2NO2 — CID 142438213

IUPAC1-[(3,4-difluorophenyl)methyl]-3-methoxy-4-phenylquinolin-2-one
SMILESCOc1c(-c2ccccc2)c2ccccc2n(Cc2ccc(F)c(F)c2)c1=O
InChIInChI=1S/C23H17F2NO2/c1-28-22-21(16-7-3-2-4-8-16)17-9-5-6-10-20(17)26(23(22)27)14-15-11-12-18(24)19(25)13-15/h2-13H,14H2,1H3
InChIKeyRKGSGBLOOSRFMD-UHFFFAOYSA-N
MW377.39 g/mol
LogP5.00
Rot. Bonds4

About 1-[(3,4-difluorophenyl)methyl]-3-methoxy-4-phenylquinolin-2-one

1-[(3,4-difluorophenyl)methyl]-3-methoxy-4-phenylquinolin-2-one (PubChem CID 142438213) has the molecular formula C23H17F2NO2 and a molecular weight of 377.39 g/mol. Its IUPAC name is 1-[(3,4-difluorophenyl)methyl]-3-methoxy-4-phenylquinolin-2-one.

Molecular Properties

Compound Name1-[(3,4-difluorophenyl)methyl]-3-methoxy-4-phenylquinolin-2-one
PubChem CID142438213
Molecular FormulaC23H17F2NO2
Molecular Weight377.39 g/mol
Exact Mass377.12
IUPAC Name1-[(3,4-difluorophenyl)methyl]-3-methoxy-4-phenylquinolin-2-one
SMILESCOc1c(-c2ccccc2)c2ccccc2n(Cc2ccc(F)c(F)c2)c1=O
InChIInChI=1S/C23H17F2NO2/c1-28-22-21(16-7-3-2-4-8-16)17-9-5-6-10-20(17)26(23(22)27)14-15-11-12-18(24)19(25)13-15/h2-13H,14H2,1H3
InChIKeyRKGSGBLOOSRFMD-UHFFFAOYSA-N
XLogP5.00
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.39
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(3,4-difluorophenyl)methyl]-3-methoxy-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

3-methoxy-4-phenyl-1-[[3-(trifluoromethyl)phenyl]methyl]quinolin-2-one
CID 142438224
6-chloro-1-[(3,4-dichlorophenyl)methyl]-3-methoxy-4-phenylquinolin-2-one
CID 142438165
4-(4-bromophenyl)-1-[(4-chlorophenyl)methyl]-3-methoxyquinolin-2-one
CID 142438166
1-[(4-bromophenyl)methyl]-4-(4-fluorophenyl)-3-methoxyquinolin-2-one
CID 142438230
1-[(3-chlorophenyl)methyl]-3,6-dimethoxy-4-phenylquinolin-2-one
CID 142438199
1-[(3-chlorophenyl)methyl]-8-fluoro-3-methoxy-4-phenylquinolin-2-one
CID 142438240
1-ethyl-7-(fluoromethyl)-3-methoxy-4-phenylquinolin-2-one
CID 142438232
1-[(2-iodophenyl)methyl]-3-methoxy-4-phenylquinolin-2-one
CID 142438185
9-[(3,4-difluorophenyl)methyl]-N-[9-[(3,4-difluorophenyl)methyl]carbazol-3-yl]-N-(4-phenylphenyl)carbazol-3-amine
CID 59760466
1-[(3,4-difluorophenyl)methyl]-3-ethylbenzimidazol-2-one
CID 115576479
1-benzyl-3-(4-fluoro-3-methoxyphenyl)indole-2-carboxylic acid
CID 130234249
3-hydroxy-4-(3-hydroxyphenyl)-1-[(4-methoxyphenyl)methyl]quinolin-2-one
CID 101462188

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-difluorophenyl)methyl]-3-methoxy-4-phenylquinolin-2-one?
The IUPAC name of 1-[(3,4-difluorophenyl)methyl]-3-methoxy-4-phenylquinolin-2-one (CID 142438213) is 1-[(3,4-difluorophenyl)methyl]-3-methoxy-4-phenylquinolin-2-one.
What is the SMILES notation for 1-[(3,4-difluorophenyl)methyl]-3-methoxy-4-phenylquinolin-2-one?
The canonical SMILES for 1-[(3,4-difluorophenyl)methyl]-3-methoxy-4-phenylquinolin-2-one is COc1c(-c2ccccc2)c2ccccc2n(Cc2ccc(F)c(F)c2)c1=O.
What is the InChIKey of 1-[(3,4-difluorophenyl)methyl]-3-methoxy-4-phenylquinolin-2-one?
The InChIKey is RKGSGBLOOSRFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2NO2/c1-28-22-21(16-7-3-2-4-8-16)17-9-5-6-10-20(17)26(23(22)27)14-15-11-12-18(24)19(25)13-15/h2-13H,14H2,1H3.
What are the key properties of 1-[(3,4-difluorophenyl)methyl]-3-methoxy-4-phenylquinolin-2-one?
1-[(3,4-difluorophenyl)methyl]-3-methoxy-4-phenylquinolin-2-one has a molecular weight of 377.39 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-difluorophenyl)methyl]-3-methoxy-4-phenylquinolin-2-one is sourced from PubChem (CID 142438213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).