6-ethoxy-3-(4-fluorophenyl)sulfonyl-1-methylquinolin-4-one

C18H16FNO4S — CID 18559300

IUPAC6-ethoxy-3-(4-fluorophenyl)sulfonyl-1-methylquinolin-4-one
SMILESCCOc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccc(F)cc1)cn2C
InChIInChI=1S/C18H16FNO4S/c1-3-24-13-6-9-16-15(10-13)18(21)17(11-20(16)2)25(22,23)14-7-4-12(19)5-8-14/h4-11H,3H2,1-2H3
InChIKeyGGMQGWAPDQDYBY-UHFFFAOYSA-N
MW361.39 g/mol
LogP2.91
Rot. Bonds4

About 6-ethoxy-3-(4-fluorophenyl)sulfonyl-1-methylquinolin-4-one

6-ethoxy-3-(4-fluorophenyl)sulfonyl-1-methylquinolin-4-one (PubChem CID 18559300) has the molecular formula C18H16FNO4S and a molecular weight of 361.39 g/mol. Its IUPAC name is 6-ethoxy-3-(4-fluorophenyl)sulfonyl-1-methylquinolin-4-one.

Molecular Properties

Compound Name6-ethoxy-3-(4-fluorophenyl)sulfonyl-1-methylquinolin-4-one
PubChem CID18559300
Molecular FormulaC18H16FNO4S
Molecular Weight361.39 g/mol
Exact Mass361.08
IUPAC Name6-ethoxy-3-(4-fluorophenyl)sulfonyl-1-methylquinolin-4-one
SMILESCCOc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccc(F)cc1)cn2C
InChIInChI=1S/C18H16FNO4S/c1-3-24-13-6-9-16-15(10-13)18(21)17(11-20(16)2)25(22,23)14-7-4-12(19)5-8-14/h4-11H,3H2,1-2H3
InChIKeyGGMQGWAPDQDYBY-UHFFFAOYSA-N
XLogP2.91
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-ethoxy-3-(4-fluorophenyl)sulfonyl-1-methylquinolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methoxy-3-(4-methoxyphenyl)sulfonyl-1-methylquinolin-4-one
CID 18559299
1-[(2,5-dimethylphenyl)methyl]-6-ethoxy-3-(4-fluorophenyl)sulfonylquinolin-4-one
CID 2137349
6-ethoxy-3-(4-fluorophenyl)sulfonyl-1-[(3-methoxyphenyl)methyl]quinolin-4-one
CID 2137277
1-butyl-3-(4-chlorophenyl)sulfonyl-6-ethoxyquinolin-4-one
CID 18559326
6-ethoxy-1-[(3-methoxyphenyl)methyl]-3-(4-methoxyphenyl)sulfonylquinolin-4-one
CID 18560118
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
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
6-ethoxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-one
CID 20874594
1-[(3-chlorophenyl)methyl]-6-ethoxy-3-(4-methylphenyl)sulfonylquinolin-4-one
CID 20874579
3-(4-chlorophenyl)sulfonyl-6-ethoxy-1-[(3-methoxyphenyl)methyl]quinolin-4-one
CID 20874595

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-3-(4-fluorophenyl)sulfonyl-1-methylquinolin-4-one?
The IUPAC name of 6-ethoxy-3-(4-fluorophenyl)sulfonyl-1-methylquinolin-4-one (CID 18559300) is 6-ethoxy-3-(4-fluorophenyl)sulfonyl-1-methylquinolin-4-one.
What is the SMILES notation for 6-ethoxy-3-(4-fluorophenyl)sulfonyl-1-methylquinolin-4-one?
The canonical SMILES for 6-ethoxy-3-(4-fluorophenyl)sulfonyl-1-methylquinolin-4-one is CCOc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccc(F)cc1)cn2C.
What is the InChIKey of 6-ethoxy-3-(4-fluorophenyl)sulfonyl-1-methylquinolin-4-one?
The InChIKey is GGMQGWAPDQDYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO4S/c1-3-24-13-6-9-16-15(10-13)18(21)17(11-20(16)2)25(22,23)14-7-4-12(19)5-8-14/h4-11H,3H2,1-2H3.
What are the key properties of 6-ethoxy-3-(4-fluorophenyl)sulfonyl-1-methylquinolin-4-one?
6-ethoxy-3-(4-fluorophenyl)sulfonyl-1-methylquinolin-4-one has a molecular weight of 361.39 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-3-(4-fluorophenyl)sulfonyl-1-methylquinolin-4-one is sourced from PubChem (CID 18559300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).