8-aminoquinoline-7-carboxylic acid

• ChemBase ID: 270343
• Molecular Formular: C10H8N2O2
• Molecular Mass: 188.18272
• Monoisotopic Mass: 188.05857751
• SMILES: c1(c(c2ncccc2cc1)N)C(=O)O
• Canonical SMILES: OC(=O)c1ccc2c(c1N)nccc2
• InChI: InChI=1S/C10H8N2O2/c11-8-7(10(13)14)4-3-6-2-1-5-12-9(6)8/h1-5H,11H2,(H,13,14)
• InChIKey: RYRUDAGVZPYCLN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-aminoquinoline-7-carboxylic acid
• IUPAC Traditional name: 8-aminoquinoline-7-carboxylic acid
• Synonyms: 8-aminoquinoline-7-carboxylic acid

Database IDs

• MDL Number: MFCD08690737
• PubChem SID: 164326253
• PubChem CID: 28974173

CALCULATED PROPERTIES

• Acid pKa: 4.305066
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.37377572
• LogD (pH = 7.4): -1.3614202
• Log P: 1.6095574
• Molar Refractivity: 51.9359 cm^3
• Polarizability: 20.406794 Å^3
• Polar Surface Area: 76.21 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 207 - 209°C
• Hydrophobicity(logP): 1.82

Product Information

• Purity: 95%