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

C24H20FNO4S — CID 2138212

IUPAC6-fluoro-3-(4-methoxyphenyl)sulfonyl-1-[(4-methylphenyl)methyl]quinolin-4-one
SMILESCOc1ccc(S(=O)(=O)c2cn(Cc3ccc(C)cc3)c3ccc(F)cc3c2=O)cc1
InChIInChI=1S/C24H20FNO4S/c1-16-3-5-17(6-4-16)14-26-15-23(24(27)21-13-18(25)7-12-22(21)26)31(28,29)20-10-8-19(30-2)9-11-20/h3-13,15H,14H2,1-2H3
InChIKeyDSVHRSTXWLPGRL-UHFFFAOYSA-N
MW437.49 g/mol
LogP4.34
Rot. Bonds5

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

6-fluoro-3-(4-methoxyphenyl)sulfonyl-1-[(4-methylphenyl)methyl]quinolin-4-one (PubChem CID 2138212) has the molecular formula C24H20FNO4S and a molecular weight of 437.49 g/mol. Its IUPAC name is 6-fluoro-3-(4-methoxyphenyl)sulfonyl-1-[(4-methylphenyl)methyl]quinolin-4-one.

Molecular Properties

Compound Name6-fluoro-3-(4-methoxyphenyl)sulfonyl-1-[(4-methylphenyl)methyl]quinolin-4-one
PubChem CID2138212
Molecular FormulaC24H20FNO4S
Molecular Weight437.49 g/mol
Exact Mass437.11
IUPAC Name6-fluoro-3-(4-methoxyphenyl)sulfonyl-1-[(4-methylphenyl)methyl]quinolin-4-one
SMILESCOc1ccc(S(=O)(=O)c2cn(Cc3ccc(C)cc3)c3ccc(F)cc3c2=O)cc1
InChIInChI=1S/C24H20FNO4S/c1-16-3-5-17(6-4-16)14-26-15-23(24(27)21-13-18(25)7-12-22(21)26)31(28,29)20-10-8-19(30-2)9-11-20/h3-13,15H,14H2,1-2H3
InChIKeyDSVHRSTXWLPGRL-UHFFFAOYSA-N
XLogP4.34
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.49
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-fluoro-3-(4-fluorophenyl)sulfonyl-1-[(4-methoxyphenyl)methyl]quinolin-4-one
CID 2137282
3-(4-fluorophenyl)sulfonyl-6-methoxy-1-[(4-methylphenyl)methyl]quinolin-4-one
CID 2137140
6-fluoro-1-[(4-methylphenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-one
CID 20874575
6-fluoro-3-(4-fluorophenyl)sulfonyl-1-[(4-methylphenyl)methyl]quinolin-4-one
CID 2137247
3-(4-ethoxyphenyl)sulfonyl-6-methoxy-1-[(4-methylphenyl)methyl]quinolin-4-one
CID 2135099
1-[(3-chlorophenyl)methyl]-6-fluoro-3-(4-methylphenyl)sulfonylquinolin-4-one
CID 20874581
1-benzyl-3-(4-ethylphenyl)sulfonyl-6-methoxyquinolin-4-one
CID 18559619
6-ethoxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-one
CID 20874594
6-ethoxy-3-(4-fluorophenyl)sulfonyl-1-[(3-methoxyphenyl)methyl]quinolin-4-one
CID 2137277
1-ethyl-6-methoxy-3-(4-methoxyphenyl)sulfonylquinolin-4-one
CID 20874609
6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-one
CID 2140958
6,7-dimethoxy-1-[(4-methylphenyl)methyl]-3-(4-propan-2-ylphenyl)sulfonylquinolin-4-one
CID 2138645

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-(4-methoxyphenyl)sulfonyl-1-[(4-methylphenyl)methyl]quinolin-4-one?
The IUPAC name of 6-fluoro-3-(4-methoxyphenyl)sulfonyl-1-[(4-methylphenyl)methyl]quinolin-4-one (CID 2138212) is 6-fluoro-3-(4-methoxyphenyl)sulfonyl-1-[(4-methylphenyl)methyl]quinolin-4-one.
What is the SMILES notation for 6-fluoro-3-(4-methoxyphenyl)sulfonyl-1-[(4-methylphenyl)methyl]quinolin-4-one?
The canonical SMILES for 6-fluoro-3-(4-methoxyphenyl)sulfonyl-1-[(4-methylphenyl)methyl]quinolin-4-one is COc1ccc(S(=O)(=O)c2cn(Cc3ccc(C)cc3)c3ccc(F)cc3c2=O)cc1.
What is the InChIKey of 6-fluoro-3-(4-methoxyphenyl)sulfonyl-1-[(4-methylphenyl)methyl]quinolin-4-one?
The InChIKey is DSVHRSTXWLPGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FNO4S/c1-16-3-5-17(6-4-16)14-26-15-23(24(27)21-13-18(25)7-12-22(21)26)31(28,29)20-10-8-19(30-2)9-11-20/h3-13,15H,14H2,1-2H3.
What are the key properties of 6-fluoro-3-(4-methoxyphenyl)sulfonyl-1-[(4-methylphenyl)methyl]quinolin-4-one?
6-fluoro-3-(4-methoxyphenyl)sulfonyl-1-[(4-methylphenyl)methyl]quinolin-4-one has a molecular weight of 437.49 g/mol, XLogP of 4.34, 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-methoxyphenyl)sulfonyl-1-[(4-methylphenyl)methyl]quinolin-4-one is sourced from PubChem (CID 2138212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).