1-methyl-3-propylsulfinylquinolin-4-one

C13H15NO2S — CID 13470369

IUPAC1-methyl-3-propylsulfinylquinolin-4-one
SMILESCCCS(=O)c1cn(C)c2ccccc2c1=O
InChIInChI=1S/C13H15NO2S/c1-3-8-17(16)12-9-14(2)11-7-5-4-6-10(11)13(12)15/h4-7,9H,3,8H2,1-2H3
InChIKeyAJAXNUFWJDURFT-UHFFFAOYSA-N
MW249.33 g/mol
LogP2.06
Rot. Bonds3

About 1-methyl-3-propylsulfinylquinolin-4-one

1-methyl-3-propylsulfinylquinolin-4-one (PubChem CID 13470369) has the molecular formula C13H15NO2S and a molecular weight of 249.33 g/mol. Its IUPAC name is 1-methyl-3-propylsulfinylquinolin-4-one.

Molecular Properties

Compound Name1-methyl-3-propylsulfinylquinolin-4-one
PubChem CID13470369
Molecular FormulaC13H15NO2S
Molecular Weight249.33 g/mol
Exact Mass249.08
IUPAC Name1-methyl-3-propylsulfinylquinolin-4-one
SMILESCCCS(=O)c1cn(C)c2ccccc2c1=O
InChIInChI=1S/C13H15NO2S/c1-3-8-17(16)12-9-14(2)11-7-5-4-6-10(11)13(12)15/h4-7,9H,3,8H2,1-2H3
InChIKeyAJAXNUFWJDURFT-UHFFFAOYSA-N
XLogP2.06
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-methyl-3-propylsulfinylquinolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propylsulfinylquinolin-4-one?
The IUPAC name of 1-methyl-3-propylsulfinylquinolin-4-one (CID 13470369) is 1-methyl-3-propylsulfinylquinolin-4-one.
What is the SMILES notation for 1-methyl-3-propylsulfinylquinolin-4-one?
The canonical SMILES for 1-methyl-3-propylsulfinylquinolin-4-one is CCCS(=O)c1cn(C)c2ccccc2c1=O.
What is the InChIKey of 1-methyl-3-propylsulfinylquinolin-4-one?
The InChIKey is AJAXNUFWJDURFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S/c1-3-8-17(16)12-9-14(2)11-7-5-4-6-10(11)13(12)15/h4-7,9H,3,8H2,1-2H3.
What are the key properties of 1-methyl-3-propylsulfinylquinolin-4-one?
1-methyl-3-propylsulfinylquinolin-4-one has a molecular weight of 249.33 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propylsulfinylquinolin-4-one is sourced from PubChem (CID 13470369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).