7-methoxy-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroquinolin-4-one

C17H17NO5S — CID 110635683

IUPAC7-methoxy-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroquinolin-4-one
SMILESCOc1ccc(S(=O)(=O)N2CCC(=O)c3ccc(OC)cc32)cc1
InChIInChI=1S/C17H17NO5S/c1-22-12-3-6-14(7-4-12)24(20,21)18-10-9-17(19)15-8-5-13(23-2)11-16(15)18/h3-8,11H,9-10H2,1-2H3
InChIKeyPEVOACXPIQJWGK-UHFFFAOYSA-N
MW347.39 g/mol
LogP2.49
Rot. Bonds4

About 7-methoxy-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroquinolin-4-one

7-methoxy-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroquinolin-4-one (PubChem CID 110635683) has the molecular formula C17H17NO5S and a molecular weight of 347.39 g/mol. Its IUPAC name is 7-methoxy-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name7-methoxy-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroquinolin-4-one
PubChem CID110635683
Molecular FormulaC17H17NO5S
Molecular Weight347.39 g/mol
Exact Mass347.08
IUPAC Name7-methoxy-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroquinolin-4-one
SMILESCOc1ccc(S(=O)(=O)N2CCC(=O)c3ccc(OC)cc32)cc1
InChIInChI=1S/C17H17NO5S/c1-22-12-3-6-14(7-4-12)24(20,21)18-10-9-17(19)15-8-5-13(23-2)11-16(15)18/h3-8,11H,9-10H2,1-2H3
InChIKeyPEVOACXPIQJWGK-UHFFFAOYSA-N
XLogP2.49
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-methoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-one
CID 10568487
6-methoxy-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-2,3-dihydroquinolin-4-one
CID 110406799
1-(3-chlorophenyl)sulfonyl-6-methoxy-2,3-dihydroquinolin-4-one
CID 110635300
1-(2,5-dimethoxyphenyl)sulfonyl-6-methoxy-2,3-dihydroquinolin-4-one
CID 110635273
5-fluoro-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole
CID 3575663
1-(3-chloro-4-methoxyphenyl)sulfonyl-2,3-dihydroquinolin-4-one
CID 110604097
6-methoxy-1-(5-methylthiophen-2-yl)sulfonyl-2,3-dihydroquinolin-4-one
CID 110635279
7-methoxy-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-one
CID 44723602
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-methoxy-2,3-dihydroindole
CID 56800307
1-(benzenesulfonyl)-5-methoxy-2H-indol-3-one
CID 595498
1-(4-fluorophenyl)sulfonyl-8-methoxy-2,3-dihydroquinolin-4-one
CID 110635382
1-cyclopropyl-4-(4-methoxyphenyl)sulfonyl-2,3-dihydroquinoxaline
CID 110715218

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroquinolin-4-one?
The IUPAC name of 7-methoxy-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroquinolin-4-one (CID 110635683) is 7-methoxy-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 7-methoxy-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroquinolin-4-one?
The canonical SMILES for 7-methoxy-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroquinolin-4-one is COc1ccc(S(=O)(=O)N2CCC(=O)c3ccc(OC)cc32)cc1.
What is the InChIKey of 7-methoxy-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroquinolin-4-one?
The InChIKey is PEVOACXPIQJWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO5S/c1-22-12-3-6-14(7-4-12)24(20,21)18-10-9-17(19)15-8-5-13(23-2)11-16(15)18/h3-8,11H,9-10H2,1-2H3.
What are the key properties of 7-methoxy-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroquinolin-4-one?
7-methoxy-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroquinolin-4-one has a molecular weight of 347.39 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 110635683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).