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

• ChemBase ID: 863699
• Molecular Formular: C19H22N4O
• Molecular Mass: 322.40418
• Monoisotopic Mass: 322.17936134
• SMILES: c1(cn(nc1)C)CN(C1CC1)Cc1nc2c(c(c1)O)cc(cc2)C
• Canonical SMILES: Cc1ccc2c(c1)c(O)cc(n2)CN(C1CC1)Cc1cnn(c1)C
• InChI: InChI=1S/C19H22N4O/c1-13-3-6-18-17(7-13)19(24)8-15(21-18)12-23(16-4-5-16)11-14-9-20-22(2)10-14/h3,6-10,16H,4-5,11-12H2,1-2H3,(H,21,24)
• InChIKey: LCTMDSYTIMAPMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.243372
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.040661
• LogD (pH = 7.4): 2.9393284
• Log P: 2.9815228
• Molar Refractivity: 105.7491 cm^3
• Polarizability: 37.49423 Å^3
• Polar Surface Area: 54.18 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.85
• LOG S: -2.98
• Polar Surface Area: 54.18 Å^2
• Rotatable Bonds: 5