1-[(4-bromophenyl)methyl]-4-(4-fluorophenyl)-3-methoxyquinolin-2-one

C23H17BrFNO2 — CID 142438230

IUPAC1-[(4-bromophenyl)methyl]-4-(4-fluorophenyl)-3-methoxyquinolin-2-one
SMILESCOc1c(-c2ccc(F)cc2)c2ccccc2n(Cc2ccc(Br)cc2)c1=O
InChIInChI=1S/C23H17BrFNO2/c1-28-22-21(16-8-12-18(25)13-9-16)19-4-2-3-5-20(19)26(23(22)27)14-15-6-10-17(24)11-7-15/h2-13H,14H2,1H3
InChIKeyYSLXLPKGMJIEMI-UHFFFAOYSA-N
MW438.30 g/mol
LogP5.63
Rot. Bonds4

About 1-[(4-bromophenyl)methyl]-4-(4-fluorophenyl)-3-methoxyquinolin-2-one

1-[(4-bromophenyl)methyl]-4-(4-fluorophenyl)-3-methoxyquinolin-2-one (PubChem CID 142438230) has the molecular formula C23H17BrFNO2 and a molecular weight of 438.30 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-4-(4-fluorophenyl)-3-methoxyquinolin-2-one.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-4-(4-fluorophenyl)-3-methoxyquinolin-2-one
PubChem CID142438230
Molecular FormulaC23H17BrFNO2
Molecular Weight438.30 g/mol
Exact Mass437.04
IUPAC Name1-[(4-bromophenyl)methyl]-4-(4-fluorophenyl)-3-methoxyquinolin-2-one
SMILESCOc1c(-c2ccc(F)cc2)c2ccccc2n(Cc2ccc(Br)cc2)c1=O
InChIInChI=1S/C23H17BrFNO2/c1-28-22-21(16-8-12-18(25)13-9-16)19-4-2-3-5-20(19)26(23(22)27)14-15-6-10-17(24)11-7-15/h2-13H,14H2,1H3
InChIKeyYSLXLPKGMJIEMI-UHFFFAOYSA-N
XLogP5.63
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.30
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-bromophenyl)-1-[(4-chlorophenyl)methyl]-3-methoxyquinolin-2-one
CID 142438166
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
1-benzyl-3-bromo-4-(4-fluorophenyl)-5,6,7-trimethoxyquinolin-2-one
CID 132527692
1-[(2-iodophenyl)methyl]-3-methoxy-4-phenylquinolin-2-one
CID 142438185
6-chloro-1-[(3,4-dichlorophenyl)methyl]-3-methoxy-4-phenylquinolin-2-one
CID 142438165
1-ethyl-7-(fluoromethyl)-3-methoxy-4-phenylquinolin-2-one
CID 142438232
1-[(3-chlorophenyl)methyl]-3,6-dimethoxy-4-phenylquinolin-2-one
CID 142438199
1-[(4-fluorophenyl)methyl]-3-hydroxyquinazoline-2,4-dione
CID 52936428
4-chloro-1-[(4-fluorophenyl)methyl]-2-oxoquinoline-3-carbonitrile
CID 21081957
5-[[1-[(4-bromophenyl)methyl]-2-methylindol-3-yl]methylidene]-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 3440309
1-[(3-chlorophenyl)methyl]-8-fluoro-3-methoxy-4-phenylquinolin-2-one
CID 142438240

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-4-(4-fluorophenyl)-3-methoxyquinolin-2-one?
The IUPAC name of 1-[(4-bromophenyl)methyl]-4-(4-fluorophenyl)-3-methoxyquinolin-2-one (CID 142438230) is 1-[(4-bromophenyl)methyl]-4-(4-fluorophenyl)-3-methoxyquinolin-2-one.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-4-(4-fluorophenyl)-3-methoxyquinolin-2-one?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-4-(4-fluorophenyl)-3-methoxyquinolin-2-one is COc1c(-c2ccc(F)cc2)c2ccccc2n(Cc2ccc(Br)cc2)c1=O.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-4-(4-fluorophenyl)-3-methoxyquinolin-2-one?
The InChIKey is YSLXLPKGMJIEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17BrFNO2/c1-28-22-21(16-8-12-18(25)13-9-16)19-4-2-3-5-20(19)26(23(22)27)14-15-6-10-17(24)11-7-15/h2-13H,14H2,1H3.
What are the key properties of 1-[(4-bromophenyl)methyl]-4-(4-fluorophenyl)-3-methoxyquinolin-2-one?
1-[(4-bromophenyl)methyl]-4-(4-fluorophenyl)-3-methoxyquinolin-2-one has a molecular weight of 438.30 g/mol, XLogP of 5.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-4-(4-fluorophenyl)-3-methoxyquinolin-2-one is sourced from PubChem (CID 142438230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).