[(1-methyl-1H-pyrazol-4-yl)methyl](2-methylpropyl)(quinolin-3-ylmethyl)amine

• ChemBase ID: 623431
• Molecular Formular: C19H24N4
• Molecular Mass: 308.42066
• Monoisotopic Mass: 308.20009679
• SMILES: c1(cn(nc1)C)CN(Cc1cc2c(nc1)cccc2)CC(C)C
• Canonical SMILES: CC(CN(Cc1cnn(c1)C)Cc1cnc2c(c1)cccc2)C
• InChI: InChI=1S/C19H24N4/c1-15(2)11-23(14-17-10-21-22(3)12-17)13-16-8-18-6-4-5-7-19(18)20-9-16/h4-10,12,15H,11,13-14H2,1-3H3
• InChIKey: ODDREPUUWMHIRO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(1-methyl-1H-pyrazol-4-yl)methyl](2-methylpropyl)(quinolin-3-ylmethyl)amine
• IUPAC Traditional name: (2-methylpropyl)[(1-methylpyrazol-4-yl)methyl](quinolin-3-ylmethyl)amine
• Synonyms: 2-methyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-N-(quinolin-3-ylmethyl)propan-1-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.61819667
• LogD (pH = 7.4): 2.374556
• Log P: 3.4689336
• Molar Refractivity: 105.7822 cm^3
• Polarizability: 37.753227 Å^3
• Polar Surface Area: 33.95 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.2
• LOG S: -3.18
• Polar Surface Area: 33.95 Å^2
• Rotatable Bonds: 6