6-fluoro-1-[(4-methylphenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-one

C24H20FNO3S — CID 20874575

IUPAC6-fluoro-1-[(4-methylphenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-one
SMILESCc1ccc(Cn2cc(S(=O)(=O)c3ccc(C)cc3)c(=O)c3cc(F)ccc32)cc1
InChIInChI=1S/C24H20FNO3S/c1-16-3-7-18(8-4-16)14-26-15-23(24(27)21-13-19(25)9-12-22(21)26)30(28,29)20-10-5-17(2)6-11-20/h3-13,15H,14H2,1-2H3
InChIKeyRBGCNBMKLIOCNB-UHFFFAOYSA-N
MW421.49 g/mol
LogP4.64
Rot. Bonds4

About 6-fluoro-1-[(4-methylphenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-one

6-fluoro-1-[(4-methylphenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-one (PubChem CID 20874575) has the molecular formula C24H20FNO3S and a molecular weight of 421.49 g/mol. Its IUPAC name is 6-fluoro-1-[(4-methylphenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-one.

Molecular Properties

Compound Name6-fluoro-1-[(4-methylphenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-one
PubChem CID20874575
Molecular FormulaC24H20FNO3S
Molecular Weight421.49 g/mol
Exact Mass421.11
IUPAC Name6-fluoro-1-[(4-methylphenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-one
SMILESCc1ccc(Cn2cc(S(=O)(=O)c3ccc(C)cc3)c(=O)c3cc(F)ccc32)cc1
InChIInChI=1S/C24H20FNO3S/c1-16-3-7-18(8-4-16)14-26-15-23(24(27)21-13-19(25)9-12-22(21)26)30(28,29)20-10-5-17(2)6-11-20/h3-13,15H,14H2,1-2H3
InChIKeyRBGCNBMKLIOCNB-UHFFFAOYSA-N
XLogP4.64
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.49
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-fluoro-3-(4-fluorophenyl)sulfonyl-1-[(4-methylphenyl)methyl]quinolin-4-one
CID 2137247
6-fluoro-3-(4-methoxyphenyl)sulfonyl-1-[(4-methylphenyl)methyl]quinolin-4-one
CID 2138212
1-[(3-chlorophenyl)methyl]-6-fluoro-3-(4-methylphenyl)sulfonylquinolin-4-one
CID 20874581
3-(4-fluorophenyl)sulfonyl-6-methoxy-1-[(4-methylphenyl)methyl]quinolin-4-one
CID 2137140
6-fluoro-3-(4-fluorophenyl)sulfonyl-1-[(4-methoxyphenyl)methyl]quinolin-4-one
CID 2137282
3-(4-chlorophenyl)sulfonyl-1-ethyl-6-fluoroquinolin-4-one
CID 20874612
3-(4-ethoxyphenyl)sulfonyl-6-methoxy-1-[(4-methylphenyl)methyl]quinolin-4-one
CID 2135099
6,7-difluoro-1-[(3-methylphenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-one
CID 18559374
6-ethyl-3-(4-methylphenyl)sulfonyl-1-propylquinolin-4-one
CID 18559393
2-[6-fluoro-3-(4-methylphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(2-methylphenyl)acetamide
CID 20869342
7-(diethylamino)-6-fluoro-1-[(3-fluorophenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-one
CID 20905068
1-butyl-6-ethyl-3-(4-methylphenyl)sulfonylquinolin-4-one
CID 18559410

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-[(4-methylphenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-one?
The IUPAC name of 6-fluoro-1-[(4-methylphenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-one (CID 20874575) is 6-fluoro-1-[(4-methylphenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-one.
What is the SMILES notation for 6-fluoro-1-[(4-methylphenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-one?
The canonical SMILES for 6-fluoro-1-[(4-methylphenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-one is Cc1ccc(Cn2cc(S(=O)(=O)c3ccc(C)cc3)c(=O)c3cc(F)ccc32)cc1.
What is the InChIKey of 6-fluoro-1-[(4-methylphenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-one?
The InChIKey is RBGCNBMKLIOCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FNO3S/c1-16-3-7-18(8-4-16)14-26-15-23(24(27)21-13-19(25)9-12-22(21)26)30(28,29)20-10-5-17(2)6-11-20/h3-13,15H,14H2,1-2H3.
What are the key properties of 6-fluoro-1-[(4-methylphenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-one?
6-fluoro-1-[(4-methylphenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-one has a molecular weight of 421.49 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-[(4-methylphenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-one is sourced from PubChem (CID 20874575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).