8-aminoquinoline-6-carboxylic acid

• ChemBase ID: 282539
• Molecular Formular: C10H8N2O2
• Molecular Mass: 188.18272
• Monoisotopic Mass: 188.05857751
• SMILES: c1(C(=O)O)cc(c2c(c1)cccn2)N
• Canonical SMILES: OC(=O)c1cc(N)c2c(c1)cccn2
• InChI: InChI=1S/C10H8N2O2/c11-8-5-7(10(13)14)4-6-2-1-3-12-9(6)8/h1-5H,11H2,(H,13,14)
• InChIKey: PDTKGGPTKPEZDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-aminoquinoline-6-carboxylic acid
• IUPAC Traditional name: 8-aminoquinoline-6-carboxylic acid
• Synonyms: 8-aminoquinoline-6-carboxylic acid

Database IDs

• MDL Number: MFCD18089646
• PubChem SID: 180668070
• PubChem CID: 50989663

CALCULATED PROPERTIES

• Acid pKa: 4.941037
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.1272818
• LogD (pH = 7.4): -1.6174537
• Log P: 0.6826573
• Molar Refractivity: 51.9359 cm^3
• Polarizability: 20.40388 Å^3
• Polar Surface Area: 76.21 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.59

Product Information

• Purity: 95%