6-amino-4-oxo-3H-quinoline-3-carboxylic acid

C10H8N2O3 — CID 74635343

IUPAC6-amino-4-oxo-3H-quinoline-3-carboxylic acid
SMILESNc1ccc2c(c1)C(=O)C(C(=O)O)C=N2
InChIInChI=1S/C10H8N2O3/c11-5-1-2-8-6(3-5)9(13)7(4-12-8)10(14)15/h1-4,7H,11H2,(H,14,15)
InChIKeyJYDLPAUMZNPYTF-UHFFFAOYSA-N
MW204.19 g/mol
LogP0.87
Rot. Bonds1

About 6-amino-4-oxo-3H-quinoline-3-carboxylic acid

6-amino-4-oxo-3H-quinoline-3-carboxylic acid (PubChem CID 74635343) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is 6-amino-4-oxo-3H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-amino-4-oxo-3H-quinoline-3-carboxylic acid
PubChem CID74635343
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Name6-amino-4-oxo-3H-quinoline-3-carboxylic acid
SMILESNc1ccc2c(c1)C(=O)C(C(=O)O)C=N2
InChIInChI=1S/C10H8N2O3/c11-5-1-2-8-6(3-5)9(13)7(4-12-8)10(14)15/h1-4,7H,11H2,(H,14,15)
InChIKeyJYDLPAUMZNPYTF-UHFFFAOYSA-N
XLogP0.87
TPSA92.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 6-amino-4-oxo-3H-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 6-amino-4-oxo-3H-quinoline-3-carboxylic acid?
The IUPAC name of 6-amino-4-oxo-3H-quinoline-3-carboxylic acid (CID 74635343) is 6-amino-4-oxo-3H-quinoline-3-carboxylic acid.
What is the SMILES notation for 6-amino-4-oxo-3H-quinoline-3-carboxylic acid?
The canonical SMILES for 6-amino-4-oxo-3H-quinoline-3-carboxylic acid is Nc1ccc2c(c1)C(=O)C(C(=O)O)C=N2.
What is the InChIKey of 6-amino-4-oxo-3H-quinoline-3-carboxylic acid?
The InChIKey is JYDLPAUMZNPYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c11-5-1-2-8-6(3-5)9(13)7(4-12-8)10(14)15/h1-4,7H,11H2,(H,14,15).
What are the key properties of 6-amino-4-oxo-3H-quinoline-3-carboxylic acid?
6-amino-4-oxo-3H-quinoline-3-carboxylic acid has a molecular weight of 204.19 g/mol, XLogP of 0.87, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-oxo-3H-quinoline-3-carboxylic acid is sourced from PubChem (CID 74635343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).