1-[(3-chlorophenyl)methyl]-8-fluoro-3-methoxy-4-phenylquinolin-2-one

C23H17ClFNO2 — CID 142438240

IUPAC1-[(3-chlorophenyl)methyl]-8-fluoro-3-methoxy-4-phenylquinolin-2-one
SMILESCOc1c(-c2ccccc2)c2cccc(F)c2n(Cc2cccc(Cl)c2)c1=O
InChIInChI=1S/C23H17ClFNO2/c1-28-22-20(16-8-3-2-4-9-16)18-11-6-12-19(25)21(18)26(23(22)27)14-15-7-5-10-17(24)13-15/h2-13H,14H2,1H3
InChIKeyYPSFISAEZQIGPY-UHFFFAOYSA-N
MW393.85 g/mol
LogP5.52
Rot. Bonds4

About 1-[(3-chlorophenyl)methyl]-8-fluoro-3-methoxy-4-phenylquinolin-2-one

1-[(3-chlorophenyl)methyl]-8-fluoro-3-methoxy-4-phenylquinolin-2-one (PubChem CID 142438240) has the molecular formula C23H17ClFNO2 and a molecular weight of 393.85 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-8-fluoro-3-methoxy-4-phenylquinolin-2-one.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-8-fluoro-3-methoxy-4-phenylquinolin-2-one
PubChem CID142438240
Molecular FormulaC23H17ClFNO2
Molecular Weight393.85 g/mol
Exact Mass393.09
IUPAC Name1-[(3-chlorophenyl)methyl]-8-fluoro-3-methoxy-4-phenylquinolin-2-one
SMILESCOc1c(-c2ccccc2)c2cccc(F)c2n(Cc2cccc(Cl)c2)c1=O
InChIInChI=1S/C23H17ClFNO2/c1-28-22-20(16-8-3-2-4-9-16)18-11-6-12-19(25)21(18)26(23(22)27)14-15-7-5-10-17(24)13-15/h2-13H,14H2,1H3
InChIKeyYPSFISAEZQIGPY-UHFFFAOYSA-N
XLogP5.52
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.85
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-chlorophenyl)methyl]-3,6-dimethoxy-4-phenylquinolin-2-one
CID 142438199
1-[(3,4-difluorophenyl)methyl]-3-methoxy-4-phenylquinolin-2-one
CID 142438213
6-chloro-1-[(3,4-dichlorophenyl)methyl]-3-methoxy-4-phenylquinolin-2-one
CID 142438165
3-methoxy-4-phenyl-1-[[3-(trifluoromethyl)phenyl]methyl]quinolin-2-one
CID 142438224
4-(4-bromophenyl)-1-[(4-chlorophenyl)methyl]-3-methoxyquinolin-2-one
CID 142438166
3-[(3-chlorophenyl)methyl]-4-fluoro-1H-benzimidazol-2-one
CID 117209019
1-[(3-chlorophenyl)methyl]-6,7-dimethoxy-3-phenylquinazoline-2,4-dione
CID 17172499
2-[(3-chlorophenyl)methyl]-5-methyl-4-phenyl-1H-pyrazol-3-one
CID 22769211
1-[(3-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)quinazoline-2,4-dione
CID 15989209
1-[(4-bromophenyl)methyl]-4-(4-fluorophenyl)-3-methoxyquinolin-2-one
CID 142438230
methyl 2-benzyl-6-chloro-4-(4-fluorophenyl)-1-oxoisoquinoline-3-carboxylate
CID 69156801
1-ethyl-7-(fluoromethyl)-3-methoxy-4-phenylquinolin-2-one
CID 142438232

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-8-fluoro-3-methoxy-4-phenylquinolin-2-one?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-8-fluoro-3-methoxy-4-phenylquinolin-2-one (CID 142438240) is 1-[(3-chlorophenyl)methyl]-8-fluoro-3-methoxy-4-phenylquinolin-2-one.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-8-fluoro-3-methoxy-4-phenylquinolin-2-one?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-8-fluoro-3-methoxy-4-phenylquinolin-2-one is COc1c(-c2ccccc2)c2cccc(F)c2n(Cc2cccc(Cl)c2)c1=O.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-8-fluoro-3-methoxy-4-phenylquinolin-2-one?
The InChIKey is YPSFISAEZQIGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClFNO2/c1-28-22-20(16-8-3-2-4-9-16)18-11-6-12-19(25)21(18)26(23(22)27)14-15-7-5-10-17(24)13-15/h2-13H,14H2,1H3.
What are the key properties of 1-[(3-chlorophenyl)methyl]-8-fluoro-3-methoxy-4-phenylquinolin-2-one?
1-[(3-chlorophenyl)methyl]-8-fluoro-3-methoxy-4-phenylquinolin-2-one has a molecular weight of 393.85 g/mol, XLogP of 5.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-8-fluoro-3-methoxy-4-phenylquinolin-2-one is sourced from PubChem (CID 142438240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).