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

C19H19NO5S — CID 20874609

IUPAC1-ethyl-6-methoxy-3-(4-methoxyphenyl)sulfonylquinolin-4-one
SMILESCCn1cc(S(=O)(=O)c2ccc(OC)cc2)c(=O)c2cc(OC)ccc21
InChIInChI=1S/C19H19NO5S/c1-4-20-12-18(19(21)16-11-14(25-3)7-10-17(16)20)26(22,23)15-8-5-13(24-2)6-9-15/h5-12H,4H2,1-3H3
InChIKeyRNNMRJAHDVPHHD-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.87
Rot. Bonds5

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

1-ethyl-6-methoxy-3-(4-methoxyphenyl)sulfonylquinolin-4-one (PubChem CID 20874609) has the molecular formula C19H19NO5S and a molecular weight of 373.43 g/mol. Its IUPAC name is 1-ethyl-6-methoxy-3-(4-methoxyphenyl)sulfonylquinolin-4-one.

Molecular Properties

Compound Name1-ethyl-6-methoxy-3-(4-methoxyphenyl)sulfonylquinolin-4-one
PubChem CID20874609
Molecular FormulaC19H19NO5S
Molecular Weight373.43 g/mol
Exact Mass373.10
IUPAC Name1-ethyl-6-methoxy-3-(4-methoxyphenyl)sulfonylquinolin-4-one
SMILESCCn1cc(S(=O)(=O)c2ccc(OC)cc2)c(=O)c2cc(OC)ccc21
InChIInChI=1S/C19H19NO5S/c1-4-20-12-18(19(21)16-11-14(25-3)7-10-17(16)20)26(22,23)15-8-5-13(24-2)6-9-15/h5-12H,4H2,1-3H3
InChIKeyRNNMRJAHDVPHHD-UHFFFAOYSA-N
XLogP2.87
TPSA74.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-methoxy-3-(4-methoxyphenyl)sulfonyl-1-methylquinolin-4-one
CID 18559299
1-benzyl-3-(4-ethylphenyl)sulfonyl-6-methoxyquinolin-4-one
CID 18559619
6-ethoxy-1-[(3-methoxyphenyl)methyl]-3-(4-methoxyphenyl)sulfonylquinolin-4-one
CID 18560118
3-(4-ethoxyphenyl)sulfonyl-6-methoxy-1-[(4-methylphenyl)methyl]quinolin-4-one
CID 2135099
2-[6-methoxy-3-(4-methoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-phenylacetamide
CID 2137967
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
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
3-(4-chlorophenyl)sulfonyl-6-ethoxy-1-[(3-methoxyphenyl)methyl]quinolin-4-one
CID 20874595
6-ethoxy-3-(4-fluorophenyl)sulfonyl-1-[(3-methoxyphenyl)methyl]quinolin-4-one
CID 2137277
N-(4-fluorophenyl)-2-[3-(4-fluorophenyl)sulfonyl-6-methoxy-4-oxoquinolin-1-yl]acetamide
CID 20869253

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-methoxy-3-(4-methoxyphenyl)sulfonylquinolin-4-one?
The IUPAC name of 1-ethyl-6-methoxy-3-(4-methoxyphenyl)sulfonylquinolin-4-one (CID 20874609) is 1-ethyl-6-methoxy-3-(4-methoxyphenyl)sulfonylquinolin-4-one.
What is the SMILES notation for 1-ethyl-6-methoxy-3-(4-methoxyphenyl)sulfonylquinolin-4-one?
The canonical SMILES for 1-ethyl-6-methoxy-3-(4-methoxyphenyl)sulfonylquinolin-4-one is CCn1cc(S(=O)(=O)c2ccc(OC)cc2)c(=O)c2cc(OC)ccc21.
What is the InChIKey of 1-ethyl-6-methoxy-3-(4-methoxyphenyl)sulfonylquinolin-4-one?
The InChIKey is RNNMRJAHDVPHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5S/c1-4-20-12-18(19(21)16-11-14(25-3)7-10-17(16)20)26(22,23)15-8-5-13(24-2)6-9-15/h5-12H,4H2,1-3H3.
What are the key properties of 1-ethyl-6-methoxy-3-(4-methoxyphenyl)sulfonylquinolin-4-one?
1-ethyl-6-methoxy-3-(4-methoxyphenyl)sulfonylquinolin-4-one has a molecular weight of 373.43 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-methoxy-3-(4-methoxyphenyl)sulfonylquinolin-4-one is sourced from PubChem (CID 20874609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).