4-hydroxy-1-methyl-3-(4-methylphenyl)sulfanylquinolin-2-one

C17H15NO2S — CID 54710218

IUPAC4-hydroxy-1-methyl-3-(4-methylphenyl)sulfanylquinolin-2-one
SMILESCc1ccc(Sc2c(O)c3ccccc3n(C)c2=O)cc1
InChIInChI=1S/C17H15NO2S/c1-11-7-9-12(10-8-11)21-16-15(19)13-5-3-4-6-14(13)18(2)17(16)20/h3-10,19H,1-2H3
InChIKeyHGINECSUHNZQGL-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.70
Rot. Bonds2

About 4-hydroxy-1-methyl-3-(4-methylphenyl)sulfanylquinolin-2-one

4-hydroxy-1-methyl-3-(4-methylphenyl)sulfanylquinolin-2-one (PubChem CID 54710218) has the molecular formula C17H15NO2S and a molecular weight of 297.38 g/mol. Its IUPAC name is 4-hydroxy-1-methyl-3-(4-methylphenyl)sulfanylquinolin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-methyl-3-(4-methylphenyl)sulfanylquinolin-2-one
PubChem CID54710218
Molecular FormulaC17H15NO2S
Molecular Weight297.38 g/mol
Exact Mass297.08
IUPAC Name4-hydroxy-1-methyl-3-(4-methylphenyl)sulfanylquinolin-2-one
SMILESCc1ccc(Sc2c(O)c3ccccc3n(C)c2=O)cc1
InChIInChI=1S/C17H15NO2S/c1-11-7-9-12(10-8-11)21-16-15(19)13-5-3-4-6-14(13)18(2)17(16)20/h3-10,19H,1-2H3
InChIKeyHGINECSUHNZQGL-UHFFFAOYSA-N
XLogP3.70
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-methyl-3-(4-methylphenyl)sulfanylquinolin-2-one?
The IUPAC name of 4-hydroxy-1-methyl-3-(4-methylphenyl)sulfanylquinolin-2-one (CID 54710218) is 4-hydroxy-1-methyl-3-(4-methylphenyl)sulfanylquinolin-2-one.
What is the SMILES notation for 4-hydroxy-1-methyl-3-(4-methylphenyl)sulfanylquinolin-2-one?
The canonical SMILES for 4-hydroxy-1-methyl-3-(4-methylphenyl)sulfanylquinolin-2-one is Cc1ccc(Sc2c(O)c3ccccc3n(C)c2=O)cc1.
What is the InChIKey of 4-hydroxy-1-methyl-3-(4-methylphenyl)sulfanylquinolin-2-one?
The InChIKey is HGINECSUHNZQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2S/c1-11-7-9-12(10-8-11)21-16-15(19)13-5-3-4-6-14(13)18(2)17(16)20/h3-10,19H,1-2H3.
What are the key properties of 4-hydroxy-1-methyl-3-(4-methylphenyl)sulfanylquinolin-2-one?
4-hydroxy-1-methyl-3-(4-methylphenyl)sulfanylquinolin-2-one has a molecular weight of 297.38 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-methyl-3-(4-methylphenyl)sulfanylquinolin-2-one is sourced from PubChem (CID 54710218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).