6-fluoro-3-(4-fluorophenyl)sulfonyl-1-[(4-methoxyphenyl)methyl]quinolin-4-one

C23H17F2NO4S — CID 2137282

IUPAC6-fluoro-3-(4-fluorophenyl)sulfonyl-1-[(4-methoxyphenyl)methyl]quinolin-4-one
SMILESCOc1ccc(Cn2cc(S(=O)(=O)c3ccc(F)cc3)c(=O)c3cc(F)ccc32)cc1
InChIInChI=1S/C23H17F2NO4S/c1-30-18-7-2-15(3-8-18)13-26-14-22(23(27)20-12-17(25)6-11-21(20)26)31(28,29)19-9-4-16(24)5-10-19/h2-12,14H,13H2,1H3
InChIKeyYCFBPBDNHOASOT-UHFFFAOYSA-N
MW441.46 g/mol
LogP4.17
Rot. Bonds5

About 6-fluoro-3-(4-fluorophenyl)sulfonyl-1-[(4-methoxyphenyl)methyl]quinolin-4-one

6-fluoro-3-(4-fluorophenyl)sulfonyl-1-[(4-methoxyphenyl)methyl]quinolin-4-one (PubChem CID 2137282) has the molecular formula C23H17F2NO4S and a molecular weight of 441.46 g/mol. Its IUPAC name is 6-fluoro-3-(4-fluorophenyl)sulfonyl-1-[(4-methoxyphenyl)methyl]quinolin-4-one.

Molecular Properties

Compound Name6-fluoro-3-(4-fluorophenyl)sulfonyl-1-[(4-methoxyphenyl)methyl]quinolin-4-one
PubChem CID2137282
Molecular FormulaC23H17F2NO4S
Molecular Weight441.46 g/mol
Exact Mass441.08
IUPAC Name6-fluoro-3-(4-fluorophenyl)sulfonyl-1-[(4-methoxyphenyl)methyl]quinolin-4-one
SMILESCOc1ccc(Cn2cc(S(=O)(=O)c3ccc(F)cc3)c(=O)c3cc(F)ccc32)cc1
InChIInChI=1S/C23H17F2NO4S/c1-30-18-7-2-15(3-8-18)13-26-14-22(23(27)20-12-17(25)6-11-21(20)26)31(28,29)19-9-4-16(24)5-10-19/h2-12,14H,13H2,1H3
InChIKeyYCFBPBDNHOASOT-UHFFFAOYSA-N
XLogP4.17
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.46
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-fluoro-3-(4-methoxyphenyl)sulfonyl-1-[(4-methylphenyl)methyl]quinolin-4-one
CID 2138212
3-(4-fluorophenyl)sulfonyl-6-methoxy-1-[(4-methylphenyl)methyl]quinolin-4-one
CID 2137140
6-fluoro-3-(4-fluorophenyl)sulfonyl-1-[(4-methylphenyl)methyl]quinolin-4-one
CID 2137247
6-fluoro-1-[(4-methylphenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-one
CID 20874575
1-benzyl-3-(4-ethylphenyl)sulfonyl-6-methoxyquinolin-4-one
CID 18559619
6-ethoxy-3-(4-fluorophenyl)sulfonyl-1-[(3-methoxyphenyl)methyl]quinolin-4-one
CID 2137277
3-(4-ethoxyphenyl)sulfonyl-6-methoxy-1-[(4-methylphenyl)methyl]quinolin-4-one
CID 2135099
1-ethyl-6-methoxy-3-(4-methoxyphenyl)sulfonylquinolin-4-one
CID 20874609
2-[6-ethyl-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 2136953
1-[(3-chlorophenyl)methyl]-6-fluoro-3-(4-methylphenyl)sulfonylquinolin-4-one
CID 20874581
6-ethoxy-1-[(3-methoxyphenyl)methyl]-3-(4-methoxyphenyl)sulfonylquinolin-4-one
CID 18560118
3-(4-chlorophenyl)sulfonyl-1-ethyl-6-fluoroquinolin-4-one
CID 20874612

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-(4-fluorophenyl)sulfonyl-1-[(4-methoxyphenyl)methyl]quinolin-4-one?
The IUPAC name of 6-fluoro-3-(4-fluorophenyl)sulfonyl-1-[(4-methoxyphenyl)methyl]quinolin-4-one (CID 2137282) is 6-fluoro-3-(4-fluorophenyl)sulfonyl-1-[(4-methoxyphenyl)methyl]quinolin-4-one.
What is the SMILES notation for 6-fluoro-3-(4-fluorophenyl)sulfonyl-1-[(4-methoxyphenyl)methyl]quinolin-4-one?
The canonical SMILES for 6-fluoro-3-(4-fluorophenyl)sulfonyl-1-[(4-methoxyphenyl)methyl]quinolin-4-one is COc1ccc(Cn2cc(S(=O)(=O)c3ccc(F)cc3)c(=O)c3cc(F)ccc32)cc1.
What is the InChIKey of 6-fluoro-3-(4-fluorophenyl)sulfonyl-1-[(4-methoxyphenyl)methyl]quinolin-4-one?
The InChIKey is YCFBPBDNHOASOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2NO4S/c1-30-18-7-2-15(3-8-18)13-26-14-22(23(27)20-12-17(25)6-11-21(20)26)31(28,29)19-9-4-16(24)5-10-19/h2-12,14H,13H2,1H3.
What are the key properties of 6-fluoro-3-(4-fluorophenyl)sulfonyl-1-[(4-methoxyphenyl)methyl]quinolin-4-one?
6-fluoro-3-(4-fluorophenyl)sulfonyl-1-[(4-methoxyphenyl)methyl]quinolin-4-one has a molecular weight of 441.46 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-(4-fluorophenyl)sulfonyl-1-[(4-methoxyphenyl)methyl]quinolin-4-one is sourced from PubChem (CID 2137282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).