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

C12H11NO3 — CID 53264528

IUPAC3-(4-oxoquinolin-1-yl)propanoic acid
SMILESO=C(O)CCn1ccc(=O)c2ccccc21
InChIInChI=1S/C12H11NO3/c14-11-5-7-13(8-6-12(15)16)10-4-2-1-3-9(10)11/h1-5,7H,6,8H2,(H,15,16)
InChIKeyAVGIGXGPOOBSGR-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.48
Rot. Bonds3

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

3-(4-oxoquinolin-1-yl)propanoic acid (PubChem CID 53264528) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 3-(4-oxoquinolin-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-oxoquinolin-1-yl)propanoic acid
PubChem CID53264528
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name3-(4-oxoquinolin-1-yl)propanoic acid
SMILESO=C(O)CCn1ccc(=O)c2ccccc21
InChIInChI=1S/C12H11NO3/c14-11-5-7-13(8-6-12(15)16)10-4-2-1-3-9(10)11/h1-5,7H,6,8H2,(H,15,16)
InChIKeyAVGIGXGPOOBSGR-UHFFFAOYSA-N
XLogP1.48
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-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-oxoquinolin-1-yl)propanoic acid?
The IUPAC name of 3-(4-oxoquinolin-1-yl)propanoic acid (CID 53264528) is 3-(4-oxoquinolin-1-yl)propanoic acid.
What is the SMILES notation for 3-(4-oxoquinolin-1-yl)propanoic acid?
The canonical SMILES for 3-(4-oxoquinolin-1-yl)propanoic acid is O=C(O)CCn1ccc(=O)c2ccccc21.
What is the InChIKey of 3-(4-oxoquinolin-1-yl)propanoic acid?
The InChIKey is AVGIGXGPOOBSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c14-11-5-7-13(8-6-12(15)16)10-4-2-1-3-9(10)11/h1-5,7H,6,8H2,(H,15,16).
What are the key properties of 3-(4-oxoquinolin-1-yl)propanoic acid?
3-(4-oxoquinolin-1-yl)propanoic acid has a molecular weight of 217.22 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-oxoquinolin-1-yl)propanoic acid is sourced from PubChem (CID 53264528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).