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

• ChemBase ID: 521003
• Molecular Formular: C17H20N4
• Molecular Mass: 280.3675
• Monoisotopic Mass: 280.16879666
• SMILES: n1n(cc(c1)CCN(Cc1nc2c(cc1)cccc2)C)C
• Canonical SMILES: CN(Cc1ccc2c(n1)cccc2)CCc1cnn(c1)C
• InChI: InChI=1S/C17H20N4/c1-20(10-9-14-11-18-21(2)12-14)13-16-8-7-15-5-3-4-6-17(15)19-16/h3-8,11-12H,9-10,13H2,1-2H3
• InChIKey: IVPIHNYTPNTULS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.06348749
• LogD (pH = 7.4): 1.8336828
• Log P: 2.5947635
• Molar Refractivity: 96.2708 cm^3
• Polarizability: 33.9818 Å^3
• Polar Surface Area: 33.95 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.9
• LOG S: -1.86
• Polar Surface Area: 33.95 Å^2
• Rotatable Bonds: 5