3-(5-fluoro-2-oxoquinolin-1-yl)propanoic acid

C12H10FNO3 — CID 68556203

IUPAC3-(5-fluoro-2-oxoquinolin-1-yl)propanoic acid
SMILESO=C(O)CCn1c(=O)ccc2c(F)cccc21
InChIInChI=1S/C12H10FNO3/c13-9-2-1-3-10-8(9)4-5-11(15)14(10)7-6-12(16)17/h1-5H,6-7H2,(H,16,17)
InChIKeyFFPHCXMAZLEUFI-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.62
Rot. Bonds3

About 3-(5-fluoro-2-oxoquinolin-1-yl)propanoic acid

3-(5-fluoro-2-oxoquinolin-1-yl)propanoic acid (PubChem CID 68556203) has the molecular formula C12H10FNO3 and a molecular weight of 235.21 g/mol. Its IUPAC name is 3-(5-fluoro-2-oxoquinolin-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(5-fluoro-2-oxoquinolin-1-yl)propanoic acid
PubChem CID68556203
Molecular FormulaC12H10FNO3
Molecular Weight235.21 g/mol
Exact Mass235.06
IUPAC Name3-(5-fluoro-2-oxoquinolin-1-yl)propanoic acid
SMILESO=C(O)CCn1c(=O)ccc2c(F)cccc21
InChIInChI=1S/C12H10FNO3/c13-9-2-1-3-10-8(9)4-5-11(15)14(10)7-6-12(16)17/h1-5H,6-7H2,(H,16,17)
InChIKeyFFPHCXMAZLEUFI-UHFFFAOYSA-N
XLogP1.62
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(5-fluoro-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-(5-fluoro-2-oxoquinolin-1-yl)propanoic acid?
The IUPAC name of 3-(5-fluoro-2-oxoquinolin-1-yl)propanoic acid (CID 68556203) is 3-(5-fluoro-2-oxoquinolin-1-yl)propanoic acid.
What is the SMILES notation for 3-(5-fluoro-2-oxoquinolin-1-yl)propanoic acid?
The canonical SMILES for 3-(5-fluoro-2-oxoquinolin-1-yl)propanoic acid is O=C(O)CCn1c(=O)ccc2c(F)cccc21.
What is the InChIKey of 3-(5-fluoro-2-oxoquinolin-1-yl)propanoic acid?
The InChIKey is FFPHCXMAZLEUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO3/c13-9-2-1-3-10-8(9)4-5-11(15)14(10)7-6-12(16)17/h1-5H,6-7H2,(H,16,17).
What are the key properties of 3-(5-fluoro-2-oxoquinolin-1-yl)propanoic acid?
3-(5-fluoro-2-oxoquinolin-1-yl)propanoic acid has a molecular weight of 235.21 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-oxoquinolin-1-yl)propanoic acid is sourced from PubChem (CID 68556203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).