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

C25H22FNO5S — CID 2137277

IUPAC6-ethoxy-3-(4-fluorophenyl)sulfonyl-1-[(3-methoxyphenyl)methyl]quinolin-4-one
SMILESCCOc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccc(F)cc1)cn2Cc1cccc(OC)c1
InChIInChI=1S/C25H22FNO5S/c1-3-32-20-9-12-23-22(14-20)25(28)24(33(29,30)21-10-7-18(26)8-11-21)16-27(23)15-17-5-4-6-19(13-17)31-2/h4-14,16H,3,15H2,1-2H3
InChIKeyBFTCJYUTXKDGBR-UHFFFAOYSA-N
MW467.52 g/mol
LogP4.43
Rot. Bonds7

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

6-ethoxy-3-(4-fluorophenyl)sulfonyl-1-[(3-methoxyphenyl)methyl]quinolin-4-one (PubChem CID 2137277) has the molecular formula C25H22FNO5S and a molecular weight of 467.52 g/mol. Its IUPAC name is 6-ethoxy-3-(4-fluorophenyl)sulfonyl-1-[(3-methoxyphenyl)methyl]quinolin-4-one.

Molecular Properties

Compound Name6-ethoxy-3-(4-fluorophenyl)sulfonyl-1-[(3-methoxyphenyl)methyl]quinolin-4-one
PubChem CID2137277
Molecular FormulaC25H22FNO5S
Molecular Weight467.52 g/mol
Exact Mass467.12
IUPAC Name6-ethoxy-3-(4-fluorophenyl)sulfonyl-1-[(3-methoxyphenyl)methyl]quinolin-4-one
SMILESCCOc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccc(F)cc1)cn2Cc1cccc(OC)c1
InChIInChI=1S/C25H22FNO5S/c1-3-32-20-9-12-23-22(14-20)25(28)24(33(29,30)21-10-7-18(26)8-11-21)16-27(23)15-17-5-4-6-19(13-17)31-2/h4-14,16H,3,15H2,1-2H3
InChIKeyBFTCJYUTXKDGBR-UHFFFAOYSA-N
XLogP4.43
TPSA74.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.52
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-ethoxy-3-(4-fluorophenyl)sulfonyl-1-[(3-methoxyphenyl)methyl]quinolin-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-ethoxy-1-[(3-methoxyphenyl)methyl]-3-(4-methoxyphenyl)sulfonylquinolin-4-one
CID 18560118
6-ethoxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-one
CID 20874594
3-(4-chlorophenyl)sulfonyl-6-ethoxy-1-[(3-methoxyphenyl)methyl]quinolin-4-one
CID 20874595
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
6-fluoro-3-(4-fluorophenyl)sulfonyl-1-[(4-methoxyphenyl)methyl]quinolin-4-one
CID 2137282
1-[(3-chlorophenyl)methyl]-6-ethoxy-3-(4-methylphenyl)sulfonylquinolin-4-one
CID 20874579
1-benzyl-3-(4-ethylphenyl)sulfonyl-6-methoxyquinolin-4-one
CID 18559619
1-[(2,5-dimethylphenyl)methyl]-6-ethoxy-3-(4-fluorophenyl)sulfonylquinolin-4-one
CID 2137349
3-(benzenesulfonyl)-1-[(3-chlorophenyl)methyl]-6-methoxyquinolin-4-one
CID 2136742
6-ethoxy-3-(4-fluorophenyl)sulfonyl-1-methylquinolin-4-one
CID 18559300
6-fluoro-3-(4-methoxyphenyl)sulfonyl-1-[(4-methylphenyl)methyl]quinolin-4-one
CID 2138212

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-3-(4-fluorophenyl)sulfonyl-1-[(3-methoxyphenyl)methyl]quinolin-4-one?
The IUPAC name of 6-ethoxy-3-(4-fluorophenyl)sulfonyl-1-[(3-methoxyphenyl)methyl]quinolin-4-one (CID 2137277) is 6-ethoxy-3-(4-fluorophenyl)sulfonyl-1-[(3-methoxyphenyl)methyl]quinolin-4-one.
What is the SMILES notation for 6-ethoxy-3-(4-fluorophenyl)sulfonyl-1-[(3-methoxyphenyl)methyl]quinolin-4-one?
The canonical SMILES for 6-ethoxy-3-(4-fluorophenyl)sulfonyl-1-[(3-methoxyphenyl)methyl]quinolin-4-one is CCOc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccc(F)cc1)cn2Cc1cccc(OC)c1.
What is the InChIKey of 6-ethoxy-3-(4-fluorophenyl)sulfonyl-1-[(3-methoxyphenyl)methyl]quinolin-4-one?
The InChIKey is BFTCJYUTXKDGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FNO5S/c1-3-32-20-9-12-23-22(14-20)25(28)24(33(29,30)21-10-7-18(26)8-11-21)16-27(23)15-17-5-4-6-19(13-17)31-2/h4-14,16H,3,15H2,1-2H3.
What are the key properties of 6-ethoxy-3-(4-fluorophenyl)sulfonyl-1-[(3-methoxyphenyl)methyl]quinolin-4-one?
6-ethoxy-3-(4-fluorophenyl)sulfonyl-1-[(3-methoxyphenyl)methyl]quinolin-4-one has a molecular weight of 467.52 g/mol, XLogP of 4.43, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-3-(4-fluorophenyl)sulfonyl-1-[(3-methoxyphenyl)methyl]quinolin-4-one is sourced from PubChem (CID 2137277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).