2-({[cyclopropyl(1-methyl-1H-imidazol-2-yl)methyl]amino}methyl)-6-methylquinolin-4-ol

• ChemBase ID: 610219
• Molecular Formular: C19H22N4O
• Molecular Mass: 322.40418
• Monoisotopic Mass: 322.17936134
• SMILES: c1(n(ccn1)C)C(C1CC1)NCc1nc2c(c(c1)O)cc(cc2)C
• Canonical SMILES: Cc1ccc2c(c1)c(O)cc(n2)CNC(c1nccn1C)C1CC1
• InChI: InChI=1S/C19H22N4O/c1-12-3-6-16-15(9-12)17(24)10-14(22-16)11-21-18(13-4-5-13)19-20-7-8-23(19)2/h3,6-10,13,18,21H,4-5,11H2,1-2H3,(H,22,24)
• InChIKey: RINXHTMOFHASRH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-({[cyclopropyl(1-methyl-1H-imidazol-2-yl)methyl]amino}methyl)-6-methylquinolin-4-ol
• IUPAC Traditional name: 2-({[cyclopropyl(1-methylimidazol-2-yl)methyl]amino}methyl)-6-methylquinolin-4-ol
• Synonyms: 2-({[cyclopropyl(1-methyl-1H-imidazol-2-yl)methyl]amino}methyl)-6-methylquinolin-4-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.244565
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.9294161
• LogD (pH = 7.4): 2.8241403
• Log P: 2.8759565
• Molar Refractivity: 93.2056 cm^3
• Polarizability: 37.50176 Å^3
• Polar Surface Area: 62.97 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.89
• LOG S: -3.01
• Polar Surface Area: 62.97 Å^2
• Rotatable Bonds: 5