3-(3-fluoro-4-methylphenyl)sulfonyl-6-methyl-1H-quinolin-4-one

C17H14FNO3S — CID 22425158

IUPAC3-(3-fluoro-4-methylphenyl)sulfonyl-6-methyl-1H-quinolin-4-one
SMILESCc1ccc2[nH]cc(S(=O)(=O)c3ccc(C)c(F)c3)c(=O)c2c1
InChIInChI=1S/C17H14FNO3S/c1-10-3-6-15-13(7-10)17(20)16(9-19-15)23(21,22)12-5-4-11(2)14(18)8-12/h3-9H,1-2H3,(H,19,20)
InChIKeyRWTQSOCIGVOJGG-UHFFFAOYSA-N
MW331.37 g/mol
LogP3.12
Rot. Bonds2

About 3-(3-fluoro-4-methylphenyl)sulfonyl-6-methyl-1H-quinolin-4-one

3-(3-fluoro-4-methylphenyl)sulfonyl-6-methyl-1H-quinolin-4-one (PubChem CID 22425158) has the molecular formula C17H14FNO3S and a molecular weight of 331.37 g/mol. Its IUPAC name is 3-(3-fluoro-4-methylphenyl)sulfonyl-6-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name3-(3-fluoro-4-methylphenyl)sulfonyl-6-methyl-1H-quinolin-4-one
PubChem CID22425158
Molecular FormulaC17H14FNO3S
Molecular Weight331.37 g/mol
Exact Mass331.07
IUPAC Name3-(3-fluoro-4-methylphenyl)sulfonyl-6-methyl-1H-quinolin-4-one
SMILESCc1ccc2[nH]cc(S(=O)(=O)c3ccc(C)c(F)c3)c(=O)c2c1
InChIInChI=1S/C17H14FNO3S/c1-10-3-6-15-13(7-10)17(20)16(9-19-15)23(21,22)12-5-4-11(2)14(18)8-12/h3-9H,1-2H3,(H,19,20)
InChIKeyRWTQSOCIGVOJGG-UHFFFAOYSA-N
XLogP3.12
TPSA67.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Win 33377
CID 3035776
3-(5,7-Difluoro-4-oxo-1,4-dihydroquinolin-2-yl)-4-(methylsulfonyl)benzonitrile
CID 167993670
3-[(4-Fluoroanilino)methylidene]-1-methyl-1,2,3,4-tetrahydro-2lambda~6~,1-benzothiazine-2,2,4-trione
CID 2819311
2-[6-fluoro-3-[(4-fluorophenyl)sulfonyl]-4-oxoquinolin-1(4H)-yl]-N-(4-methylphenyl)acetamide
CID 15944876
1-Benzyl-3-(2,4-dimethylbenzenesulfonyl)-6-fluoro-7-(pyrrolidin-1-yl)-1,4-dihydroquinolin-4-one
CID 16020789
3-[(4-fluorophenyl)sulfonyl]-6-methylquinolin-4(1H)-one
CID 20868632
N-(2,4-dimethylphenyl)-2-[6-ethyl-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide
CID 2136983
2-[6-fluoro-3-[(4-methylphenyl)sulfonyl]-4-oxoquinolin-1(4H)-yl]-N-phenylacetamide
CID 15944712
6-Ethyl-3-[4-(propan-2-YL)benzenesulfonyl]-1,4-dihydroquinolin-4-one
CID 16009068
7-(azepan-1-yl)-6-fluoro-3-(phenylsulfonyl)-1-propylquinolin-4(1H)-one
CID 16020499
1-benzyl-7-(diethylamino)-6-fluoro-3-(phenylsulfonyl)quinolin-4(1H)-one
CID 16020527
6-fluoro-1-methyl-7-(4-methylpiperazin-1-yl)-3-tosylquinolin-4(1H)-one
CID 16020561

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methylphenyl)sulfonyl-6-methyl-1H-quinolin-4-one?
The IUPAC name of 3-(3-fluoro-4-methylphenyl)sulfonyl-6-methyl-1H-quinolin-4-one (CID 22425158) is 3-(3-fluoro-4-methylphenyl)sulfonyl-6-methyl-1H-quinolin-4-one.
What is the SMILES notation for 3-(3-fluoro-4-methylphenyl)sulfonyl-6-methyl-1H-quinolin-4-one?
The canonical SMILES for 3-(3-fluoro-4-methylphenyl)sulfonyl-6-methyl-1H-quinolin-4-one is Cc1ccc2[nH]cc(S(=O)(=O)c3ccc(C)c(F)c3)c(=O)c2c1.
What is the InChIKey of 3-(3-fluoro-4-methylphenyl)sulfonyl-6-methyl-1H-quinolin-4-one?
The InChIKey is RWTQSOCIGVOJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO3S/c1-10-3-6-15-13(7-10)17(20)16(9-19-15)23(21,22)12-5-4-11(2)14(18)8-12/h3-9H,1-2H3,(H,19,20).
What are the key properties of 3-(3-fluoro-4-methylphenyl)sulfonyl-6-methyl-1H-quinolin-4-one?
3-(3-fluoro-4-methylphenyl)sulfonyl-6-methyl-1H-quinolin-4-one has a molecular weight of 331.37 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methylphenyl)sulfonyl-6-methyl-1H-quinolin-4-one is sourced from PubChem (CID 22425158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).