3-(4-methyl-2-oxoquinolin-1-yl)propanoic acid

C13H13NO3 — CID 666041

IUPAC3-(4-methyl-2-oxoquinolin-1-yl)propanoic acid
SMILESCc1cc(=O)n(CCC(=O)O)c2ccccc12
InChIInChI=1S/C13H13NO3/c1-9-8-12(15)14(7-6-13(16)17)11-5-3-2-4-10(9)11/h2-5,8H,6-7H2,1H3,(H,16,17)
InChIKeyNPTAVQKWQVMARO-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.78
Rot. Bonds3

About 3-(4-methyl-2-oxoquinolin-1-yl)propanoic acid

3-(4-methyl-2-oxoquinolin-1-yl)propanoic acid (PubChem CID 666041) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 3-(4-methyl-2-oxoquinolin-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-methyl-2-oxoquinolin-1-yl)propanoic acid
PubChem CID666041
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name3-(4-methyl-2-oxoquinolin-1-yl)propanoic acid
SMILESCc1cc(=O)n(CCC(=O)O)c2ccccc12
InChIInChI=1S/C13H13NO3/c1-9-8-12(15)14(7-6-13(16)17)11-5-3-2-4-10(9)11/h2-5,8H,6-7H2,1H3,(H,16,17)
InChIKeyNPTAVQKWQVMARO-UHFFFAOYSA-N
XLogP1.78
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-methyl-2-oxoquinolin-1-yl)propanoic acid 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 3-(4-methyl-2-oxoquinolin-1-yl)propanoic acid?
The IUPAC name of 3-(4-methyl-2-oxoquinolin-1-yl)propanoic acid (CID 666041) is 3-(4-methyl-2-oxoquinolin-1-yl)propanoic acid.
What is the SMILES notation for 3-(4-methyl-2-oxoquinolin-1-yl)propanoic acid?
The canonical SMILES for 3-(4-methyl-2-oxoquinolin-1-yl)propanoic acid is Cc1cc(=O)n(CCC(=O)O)c2ccccc12.
What is the InChIKey of 3-(4-methyl-2-oxoquinolin-1-yl)propanoic acid?
The InChIKey is NPTAVQKWQVMARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-9-8-12(15)14(7-6-13(16)17)11-5-3-2-4-10(9)11/h2-5,8H,6-7H2,1H3,(H,16,17).
What are the key properties of 3-(4-methyl-2-oxoquinolin-1-yl)propanoic acid?
3-(4-methyl-2-oxoquinolin-1-yl)propanoic acid has a molecular weight of 231.25 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-2-oxoquinolin-1-yl)propanoic acid is sourced from PubChem (CID 666041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).