6-aminoquinolin-4-ol

• ChemBase ID: 90504
• Molecular Formular: C9H8N2O
• Molecular Mass: 160.17262
• Monoisotopic Mass: 160.06366289
• SMILES: n1c2c(c(cc1)O)cc(cc2)N
• Canonical SMILES: Nc1ccc2c(c1)c(O)ccn2
• InChI: InChI=1S/C9H8N2O/c10-6-1-2-8-7(5-6)9(12)3-4-11-8/h1-5H,10H2,(H,11,12)
• InChIKey: QDPTYTIUPLHNKB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-aminoquinolin-4-ol
• IUPAC Traditional name: 6-aminoquinolin-4-ol
• Synonyms: 6-Aminoquinolin-4-ol; 4-Hydroxyquinolin-6-amine; 6-Amino-4-hydroxyquinoline

Database IDs

• CAS Number: 56717-02-3
• MDL Number: MFCD09261102
• PubChem SID: 162077301
• PubChem CID: 10419466

CALCULATED PROPERTIES

• Acid pKa: 12.134598
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.994568
• LogD (pH = 7.4): 0.9983527
• Log P: 0.9984092
• Molar Refractivity: 46.6606 cm^3
• Polarizability: 18.702301 Å^3
• Polar Surface Area: 59.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Air Sensitive/Light Sensitive/Store under Argon