6-methoxy-1-(5-methylthiophen-2-yl)sulfonyl-2,3-dihydroquinolin-4-one

C15H15NO4S2 — CID 110635279

IUPAC6-methoxy-1-(5-methylthiophen-2-yl)sulfonyl-2,3-dihydroquinolin-4-one
SMILESCOc1ccc2c(c1)C(=O)CCN2S(=O)(=O)c1ccc(C)s1
InChIInChI=1S/C15H15NO4S2/c1-10-3-6-15(21-10)22(18,19)16-8-7-14(17)12-9-11(20-2)4-5-13(12)16/h3-6,9H,7-8H2,1-2H3
InChIKeyLGVLSZNUUMATPZ-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.85
Rot. Bonds3

About 6-methoxy-1-(5-methylthiophen-2-yl)sulfonyl-2,3-dihydroquinolin-4-one

6-methoxy-1-(5-methylthiophen-2-yl)sulfonyl-2,3-dihydroquinolin-4-one (PubChem CID 110635279) has the molecular formula C15H15NO4S2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 6-methoxy-1-(5-methylthiophen-2-yl)sulfonyl-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name6-methoxy-1-(5-methylthiophen-2-yl)sulfonyl-2,3-dihydroquinolin-4-one
PubChem CID110635279
Molecular FormulaC15H15NO4S2
Molecular Weight337.42 g/mol
Exact Mass337.04
IUPAC Name6-methoxy-1-(5-methylthiophen-2-yl)sulfonyl-2,3-dihydroquinolin-4-one
SMILESCOc1ccc2c(c1)C(=O)CCN2S(=O)(=O)c1ccc(C)s1
InChIInChI=1S/C15H15NO4S2/c1-10-3-6-15(21-10)22(18,19)16-8-7-14(17)12-9-11(20-2)4-5-13(12)16/h3-6,9H,7-8H2,1-2H3
InChIKeyLGVLSZNUUMATPZ-UHFFFAOYSA-N
XLogP2.85
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,5-dimethoxyphenyl)sulfonyl-6-methoxy-2,3-dihydroquinolin-4-one
CID 110635273
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
7-methoxy-1-(5-methylthiophen-2-yl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol
CID 110637195
7-methoxy-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroquinolin-4-one
CID 110635683
7-methoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-one
CID 10568487
1-(benzenesulfonyl)-5-methoxy-2H-indol-3-one
CID 595498
8-methoxy-2-(5-methylthiophen-2-yl)sulfonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 113089370
(3-methoxyphenyl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 17476588
(3R)-3-(4-methoxyphenyl)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine
CID 94919570
5-methoxy-1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-2,3-dihydroindole
CID 110714127
5-methoxy-1-methylsulfonyl-2,3-dihydroindole
CID 110714108

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-(5-methylthiophen-2-yl)sulfonyl-2,3-dihydroquinolin-4-one?
The IUPAC name of 6-methoxy-1-(5-methylthiophen-2-yl)sulfonyl-2,3-dihydroquinolin-4-one (CID 110635279) is 6-methoxy-1-(5-methylthiophen-2-yl)sulfonyl-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 6-methoxy-1-(5-methylthiophen-2-yl)sulfonyl-2,3-dihydroquinolin-4-one?
The canonical SMILES for 6-methoxy-1-(5-methylthiophen-2-yl)sulfonyl-2,3-dihydroquinolin-4-one is COc1ccc2c(c1)C(=O)CCN2S(=O)(=O)c1ccc(C)s1.
What is the InChIKey of 6-methoxy-1-(5-methylthiophen-2-yl)sulfonyl-2,3-dihydroquinolin-4-one?
The InChIKey is LGVLSZNUUMATPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S2/c1-10-3-6-15(21-10)22(18,19)16-8-7-14(17)12-9-11(20-2)4-5-13(12)16/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 6-methoxy-1-(5-methylthiophen-2-yl)sulfonyl-2,3-dihydroquinolin-4-one?
6-methoxy-1-(5-methylthiophen-2-yl)sulfonyl-2,3-dihydroquinolin-4-one has a molecular weight of 337.42 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-(5-methylthiophen-2-yl)sulfonyl-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 110635279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).