1-benzyl-3-(4-ethylphenyl)sulfonyl-6-methoxyquinolin-4-one

C25H23NO4S — CID 18559619

IUPAC1-benzyl-3-(4-ethylphenyl)sulfonyl-6-methoxyquinolin-4-one
SMILESCCc1ccc(S(=O)(=O)c2cn(Cc3ccccc3)c3ccc(OC)cc3c2=O)cc1
InChIInChI=1S/C25H23NO4S/c1-3-18-9-12-21(13-10-18)31(28,29)24-17-26(16-19-7-5-4-6-8-19)23-14-11-20(30-2)15-22(23)25(24)27/h4-15,17H,3,16H2,1-2H3
InChIKeyJZNWELOGJOTSPS-UHFFFAOYSA-N
MW433.53 g/mol
LogP4.45
Rot. Bonds6

About 1-benzyl-3-(4-ethylphenyl)sulfonyl-6-methoxyquinolin-4-one

1-benzyl-3-(4-ethylphenyl)sulfonyl-6-methoxyquinolin-4-one (PubChem CID 18559619) has the molecular formula C25H23NO4S and a molecular weight of 433.53 g/mol. Its IUPAC name is 1-benzyl-3-(4-ethylphenyl)sulfonyl-6-methoxyquinolin-4-one.

Molecular Properties

Compound Name1-benzyl-3-(4-ethylphenyl)sulfonyl-6-methoxyquinolin-4-one
PubChem CID18559619
Molecular FormulaC25H23NO4S
Molecular Weight433.53 g/mol
Exact Mass433.13
IUPAC Name1-benzyl-3-(4-ethylphenyl)sulfonyl-6-methoxyquinolin-4-one
SMILESCCc1ccc(S(=O)(=O)c2cn(Cc3ccccc3)c3ccc(OC)cc3c2=O)cc1
InChIInChI=1S/C25H23NO4S/c1-3-18-9-12-21(13-10-18)31(28,29)24-17-26(16-19-7-5-4-6-8-19)23-14-11-20(30-2)15-22(23)25(24)27/h4-15,17H,3,16H2,1-2H3
InChIKeyJZNWELOGJOTSPS-UHFFFAOYSA-N
XLogP4.45
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(benzenesulfonyl)-1-[(3-chlorophenyl)methyl]-6-methoxyquinolin-4-one
CID 2136742
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
6-ethoxy-1-[(3-methoxyphenyl)methyl]-3-(4-methoxyphenyl)sulfonylquinolin-4-one
CID 18560118
3-(4-fluorophenyl)sulfonyl-6-methoxy-1-[(4-methylphenyl)methyl]quinolin-4-one
CID 2137140
3-(4-chlorophenyl)sulfonyl-6-ethoxy-1-[(3-methoxyphenyl)methyl]quinolin-4-one
CID 20874595
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
6-fluoro-3-(4-methoxyphenyl)sulfonyl-1-[(4-methylphenyl)methyl]quinolin-4-one
CID 2138212
6-ethoxy-3-(4-fluorophenyl)sulfonyl-1-[(3-methoxyphenyl)methyl]quinolin-4-one
CID 2137277
2-[3-(4-ethylphenyl)sulfonyl-6-methoxy-4-oxoquinolin-1-yl]-N-(2-methylphenyl)acetamide
CID 16825252
2-[6-methoxy-3-(4-methoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-phenylacetamide
CID 2137967

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(4-ethylphenyl)sulfonyl-6-methoxyquinolin-4-one?
The IUPAC name of 1-benzyl-3-(4-ethylphenyl)sulfonyl-6-methoxyquinolin-4-one (CID 18559619) is 1-benzyl-3-(4-ethylphenyl)sulfonyl-6-methoxyquinolin-4-one.
What is the SMILES notation for 1-benzyl-3-(4-ethylphenyl)sulfonyl-6-methoxyquinolin-4-one?
The canonical SMILES for 1-benzyl-3-(4-ethylphenyl)sulfonyl-6-methoxyquinolin-4-one is CCc1ccc(S(=O)(=O)c2cn(Cc3ccccc3)c3ccc(OC)cc3c2=O)cc1.
What is the InChIKey of 1-benzyl-3-(4-ethylphenyl)sulfonyl-6-methoxyquinolin-4-one?
The InChIKey is JZNWELOGJOTSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO4S/c1-3-18-9-12-21(13-10-18)31(28,29)24-17-26(16-19-7-5-4-6-8-19)23-14-11-20(30-2)15-22(23)25(24)27/h4-15,17H,3,16H2,1-2H3.
What are the key properties of 1-benzyl-3-(4-ethylphenyl)sulfonyl-6-methoxyquinolin-4-one?
1-benzyl-3-(4-ethylphenyl)sulfonyl-6-methoxyquinolin-4-one has a molecular weight of 433.53 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4-ethylphenyl)sulfonyl-6-methoxyquinolin-4-one is sourced from PubChem (CID 18559619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).