4-hydroxy-2-oxo-1H-quinoline-3-carboxylic acid

C10H7NO4 — CID 54697499

IUPAC4-hydroxy-2-oxo-1H-quinoline-3-carboxylic acid
SMILESO=C(O)c1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C10H7NO4/c12-8-5-3-1-2-4-6(5)11-9(13)7(8)10(14)15/h1-4H,(H,14,15)(H2,11,12,13)
InChIKeyJEBJIWLJHQOTIA-UHFFFAOYSA-N
MW205.17 g/mol
LogP0.93
Rot. Bonds1

About 4-hydroxy-2-oxo-1H-quinoline-3-carboxylic acid

4-hydroxy-2-oxo-1H-quinoline-3-carboxylic acid (PubChem CID 54697499) has the molecular formula C10H7NO4 and a molecular weight of 205.17 g/mol. Its IUPAC name is 4-hydroxy-2-oxo-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-2-oxo-1H-quinoline-3-carboxylic acid
PubChem CID54697499
Molecular FormulaC10H7NO4
Molecular Weight205.17 g/mol
Exact Mass205.04
IUPAC Name4-hydroxy-2-oxo-1H-quinoline-3-carboxylic acid
SMILESO=C(O)c1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C10H7NO4/c12-8-5-3-1-2-4-6(5)11-9(13)7(8)10(14)15/h1-4H,(H,14,15)(H2,11,12,13)
InChIKeyJEBJIWLJHQOTIA-UHFFFAOYSA-N
XLogP0.93
TPSA90.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-hydroxy-2-oxo-1H-quinoline-3-carboxylic 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 4-hydroxy-2-oxo-1H-quinoline-3-carboxylic acid?
The IUPAC name of 4-hydroxy-2-oxo-1H-quinoline-3-carboxylic acid (CID 54697499) is 4-hydroxy-2-oxo-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 4-hydroxy-2-oxo-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 4-hydroxy-2-oxo-1H-quinoline-3-carboxylic acid is O=C(O)c1c(O)c2ccccc2[nH]c1=O.
What is the InChIKey of 4-hydroxy-2-oxo-1H-quinoline-3-carboxylic acid?
The InChIKey is JEBJIWLJHQOTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO4/c12-8-5-3-1-2-4-6(5)11-9(13)7(8)10(14)15/h1-4H,(H,14,15)(H2,11,12,13).
What are the key properties of 4-hydroxy-2-oxo-1H-quinoline-3-carboxylic acid?
4-hydroxy-2-oxo-1H-quinoline-3-carboxylic acid has a molecular weight of 205.17 g/mol, XLogP of 0.93, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-oxo-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 54697499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).