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

C17H17NO4S — CID 10568487

IUPAC7-methoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-one
SMILESCOc1ccc2c(c1)N(S(=O)(=O)c1ccc(C)cc1)CCC2=O
InChIInChI=1S/C17H17NO4S/c1-12-3-6-14(7-4-12)23(20,21)18-10-9-17(19)15-8-5-13(22-2)11-16(15)18/h3-8,11H,9-10H2,1-2H3
InChIKeyMKROHIJXKKIMAQ-UHFFFAOYSA-N
MW331.39 g/mol
LogP2.79
Rot. Bonds3

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

7-methoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-one (PubChem CID 10568487) has the molecular formula C17H17NO4S and a molecular weight of 331.39 g/mol. Its IUPAC name is 7-methoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name7-methoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-one
PubChem CID10568487
Molecular FormulaC17H17NO4S
Molecular Weight331.39 g/mol
Exact Mass331.09
IUPAC Name7-methoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-one
SMILESCOc1ccc2c(c1)N(S(=O)(=O)c1ccc(C)cc1)CCC2=O
InChIInChI=1S/C17H17NO4S/c1-12-3-6-14(7-4-12)23(20,21)18-10-9-17(19)15-8-5-13(22-2)11-16(15)18/h3-8,11H,9-10H2,1-2H3
InChIKeyMKROHIJXKKIMAQ-UHFFFAOYSA-N
XLogP2.79
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-methoxy-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroquinolin-4-one
CID 110635683
7-methoxy-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-one
CID 44723602
7-methoxy-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1H-quinoxaline
CID 175202252
6-methoxy-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-2,3-dihydroquinolin-4-one
CID 110406799
8-methoxy-1-(4-methylphenyl)sulfonyl-2,3,4,5-tetrahydro-1-benzazepin-4-ol
CID 10712674
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
6-methoxy-1-(5-methylthiophen-2-yl)sulfonyl-2,3-dihydroquinolin-4-one
CID 110635279
1-(3-chloro-4-methoxyphenyl)sulfonyl-2,3-dihydroquinolin-4-one
CID 110604097
1-(1,3-benzodioxol-5-ylsulfonyl)-6-methyl-2,3-dihydroquinolin-4-one
CID 110406441
5-fluoro-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole
CID 3575663
1-(4-fluoro-3-methylphenyl)sulfonyl-6-methyl-2,3-dihydroquinolin-4-one
CID 110406435

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-one?
The IUPAC name of 7-methoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-one (CID 10568487) is 7-methoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 7-methoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-one?
The canonical SMILES for 7-methoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-one is COc1ccc2c(c1)N(S(=O)(=O)c1ccc(C)cc1)CCC2=O.
What is the InChIKey of 7-methoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-one?
The InChIKey is MKROHIJXKKIMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4S/c1-12-3-6-14(7-4-12)23(20,21)18-10-9-17(19)15-8-5-13(22-2)11-16(15)18/h3-8,11H,9-10H2,1-2H3.
What are the key properties of 7-methoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-one?
7-methoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-one has a molecular weight of 331.39 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 10568487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).