6-amino-2-methylquinolin-4-ol hydrochloride

• ChemBase ID: 121551
• Molecular Formular: C10H11ClN2O
• Molecular Mass: 210.66014
• Monoisotopic Mass: 210.05599066
• SMILES: c12c(nc(cc1O)C)ccc(c2)N.Cl
• Canonical SMILES: Nc1ccc2c(c1)c(O)cc(n2)C.Cl
• InChI: InChI=1S/C10H10N2O.ClH/c1-6-4-10(13)8-5-7(11)2-3-9(8)12-6;/h2-5H,11H2,1H3,(H,12,13);1H
• InChIKey: LQSYIDVIYIPZRG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-amino-2-methylquinolin-4-ol hydrochloride
• IUPAC Traditional name: 6-amino-2-methylquinolin-4-ol hydrochloride
• Synonyms: 6-amino-2-methylquinolin-4-ol hydrochloride

Database IDs

• PubChem SID: 162215904
• PubChem CID: 44668151

CALCULATED PROPERTIES

• Acid pKa: 11.591742
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.1235491
• LogD (pH = 7.4): 1.1296728
• Log P: 1.1297793
• Molar Refractivity: 51.2521 cm^3
• Polarizability: 20.467144 Å^3
• Polar Surface Area: 59.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HCl