6-amino-2-(propan-2-yl)quinolin-4-ol

• ChemBase ID: 248275
• Molecular Formular: C12H14N2O
• Molecular Mass: 202.25236
• Monoisotopic Mass: 202.11061308
• SMILES: c1(nc2c(c(c1)O)cc(N)cc2)C(C)C
• Canonical SMILES: Nc1ccc2c(c1)c(O)cc(n2)C(C)C
• InChI: InChI=1S/C12H14N2O/c1-7(2)11-6-12(15)9-5-8(13)3-4-10(9)14-11/h3-7H,13H2,1-2H3,(H,14,15)
• InChIKey: KGKVXNJHRSTRDP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-amino-2-(propan-2-yl)quinolin-4-ol
• IUPAC Traditional name: 6-amino-2-isopropylquinolin-4-ol
• Synonyms: 6-amino-2-isopropylquinolin-4-ol

Database IDs

• PubChem SID: 164304185
• PubChem CID: 71758432

CALCULATED PROPERTIES

• Acid pKa: 11.5461235
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.3684812
• LogD (pH = 7.4): 2.37321
• Log P: 2.3733015
• Molar Refractivity: 60.4535 cm^3
• Polarizability: 24.159143 Å^3
• Polar Surface Area: 59.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.594

Product Information

• Purity: null%