methylbis(quinolin-2-ylmethyl)amine

• ChemBase ID: 790848
• Molecular Formular: C21H19N3
• Molecular Mass: 313.39566
• Monoisotopic Mass: 313.15789762
• SMILES: n1c2c(ccc1CN(Cc1nc3c(cc1)cccc3)C)cccc2
• Canonical SMILES: CN(Cc1ccc2c(n1)cccc2)Cc1ccc2c(n1)cccc2
• InChI: InChI=1S/C21H19N3/c1-24(14-18-12-10-16-6-2-4-8-20(16)22-18)15-19-13-11-17-7-3-5-9-21(17)23-19/h2-13H,14-15H2,1H3
• InChIKey: UZJZNLDBOLBLAC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methylbis(quinolin-2-ylmethyl)amine
• IUPAC Traditional name: methylbis(quinolin-2-ylmethyl)amine
• Synonyms: N-methyl-1-quinolin-2-yl-N-(quinolin-2-ylmethyl)methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.1139438
• LogD (pH = 7.4): 4.070235
• Log P: 4.1173687
• Molar Refractivity: 96.0115 cm^3
• Polarizability: 40.442688 Å^3
• Polar Surface Area: 29.02 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.52
• LOG S: -4.59
• Polar Surface Area: 29.02 Å^2
• Rotatable Bonds: 4