1-ethyl-6-methoxy-3-(4-methylphenyl)sulfonylquinolin-4-one

C19H19NO4S — CID 18559304

IUPAC1-ethyl-6-methoxy-3-(4-methylphenyl)sulfonylquinolin-4-one
SMILESCCn1cc(S(=O)(=O)c2ccc(C)cc2)c(=O)c2cc(OC)ccc21
InChIInChI=1S/C19H19NO4S/c1-4-20-12-18(25(22,23)15-8-5-13(2)6-9-15)19(21)16-11-14(24-3)7-10-17(16)20/h5-12H,4H2,1-3H3
InChIKeyNKOLPHVBQANZNS-UHFFFAOYSA-N
MW357.43 g/mol
LogP3.17
Rot. Bonds4

About 1-ethyl-6-methoxy-3-(4-methylphenyl)sulfonylquinolin-4-one

1-ethyl-6-methoxy-3-(4-methylphenyl)sulfonylquinolin-4-one (PubChem CID 18559304) has the molecular formula C19H19NO4S and a molecular weight of 357.43 g/mol. Its IUPAC name is 1-ethyl-6-methoxy-3-(4-methylphenyl)sulfonylquinolin-4-one.

Molecular Properties

Compound Name1-ethyl-6-methoxy-3-(4-methylphenyl)sulfonylquinolin-4-one
PubChem CID18559304
Molecular FormulaC19H19NO4S
Molecular Weight357.43 g/mol
Exact Mass357.10
IUPAC Name1-ethyl-6-methoxy-3-(4-methylphenyl)sulfonylquinolin-4-one
SMILESCCn1cc(S(=O)(=O)c2ccc(C)cc2)c(=O)c2cc(OC)ccc21
InChIInChI=1S/C19H19NO4S/c1-4-20-12-18(25(22,23)15-8-5-13(2)6-9-15)19(21)16-11-14(24-3)7-10-17(16)20/h5-12H,4H2,1-3H3
InChIKeyNKOLPHVBQANZNS-UHFFFAOYSA-N
XLogP3.17
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-Methoxy-1-methyl-2-phenyl-4(1H)-quinolinone
CID 622180
3-[(3,4-dimethylphenyl)sulfonyl]-6-ethoxyquinolin-4(1H)-one
CID 20868637
1-[(2-Chlorophenyl)methyl]-3-(4-fluorophenyl)sulfonyl-6-methoxyquinolin-4-one
CID 2137249
3-[(4-fluorophenyl)sulfonyl]-6-methoxyquinolin-4(1H)-one
CID 9551540
3-Benzoyl-1-benzyl-6-methoxy-1,4-dihydroquinolin-4-one
CID 15945541
3-(4-Fluorophenyl)sulfonyl-6,7-dimethoxy-1-[(2-methylphenyl)methyl]quinolin-4-one
CID 2137236
5-methoxy-1-[2-(phenylsulfonyl)ethyl]-1H-indole-2,3-dione
CID 8070709
1-(2-chlorobenzyl)-6-ethoxy-3-tosylquinolin-4(1H)-one
CID 16009620
6,7-Dimethoxy-3-(4-methylphenyl)sulfonyl-1-propylquinolin-4-one
CID 16009731
6-Fluoro-3-(4-methoxyphenyl)sulfonyl-1-methyl-7-pyrrolidin-1-ylquinolin-4-one
CID 16020689
1-butyl-6-fluoro-3-((4-methoxyphenyl)sulfonyl)-7-(pyrrolidin-1-yl)quinolin-4(1H)-one
CID 16020724
6-ethoxy-1-ethyl-3-tosylquinolin-4(1H)-one
CID 18559305

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-methoxy-3-(4-methylphenyl)sulfonylquinolin-4-one?
The IUPAC name of 1-ethyl-6-methoxy-3-(4-methylphenyl)sulfonylquinolin-4-one (CID 18559304) is 1-ethyl-6-methoxy-3-(4-methylphenyl)sulfonylquinolin-4-one.
What is the SMILES notation for 1-ethyl-6-methoxy-3-(4-methylphenyl)sulfonylquinolin-4-one?
The canonical SMILES for 1-ethyl-6-methoxy-3-(4-methylphenyl)sulfonylquinolin-4-one is CCn1cc(S(=O)(=O)c2ccc(C)cc2)c(=O)c2cc(OC)ccc21.
What is the InChIKey of 1-ethyl-6-methoxy-3-(4-methylphenyl)sulfonylquinolin-4-one?
The InChIKey is NKOLPHVBQANZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4S/c1-4-20-12-18(25(22,23)15-8-5-13(2)6-9-15)19(21)16-11-14(24-3)7-10-17(16)20/h5-12H,4H2,1-3H3.
What are the key properties of 1-ethyl-6-methoxy-3-(4-methylphenyl)sulfonylquinolin-4-one?
1-ethyl-6-methoxy-3-(4-methylphenyl)sulfonylquinolin-4-one has a molecular weight of 357.43 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-methoxy-3-(4-methylphenyl)sulfonylquinolin-4-one is sourced from PubChem (CID 18559304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).