(butan-2-yl)(pyridin-4-ylmethyl)(quinolin-3-ylmethyl)amine

• ChemBase ID: 438234
• Molecular Formular: C20H23N3
• Molecular Mass: 305.41672
• Monoisotopic Mass: 305.18919775
• SMILES: N(Cc1cc2c(nc1)cccc2)(Cc1ccncc1)C(CC)C
• Canonical SMILES: CCC(N(Cc1ccncc1)Cc1cnc2c(c1)cccc2)C
• InChI: InChI=1S/C20H23N3/c1-3-16(2)23(14-17-8-10-21-11-9-17)15-18-12-19-6-4-5-7-20(19)22-13-18/h4-13,16H,3,14-15H2,1-2H3
• InChIKey: FVUBECQKVFAFRG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (butan-2-yl)(pyridin-4-ylmethyl)(quinolin-3-ylmethyl)amine
• IUPAC Traditional name: (pyridin-4-ylmethyl)(quinolin-3-ylmethyl)sec-butylamine
• Synonyms: N-(pyridin-4-ylmethyl)-N-(quinolin-3-ylmethyl)butan-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.8198792
• LogD (pH = 7.4): 2.5140193
• Log P: 3.8750033
• Molar Refractivity: 94.6691 cm^3
• Polarizability: 38.339687 Å^3
• Polar Surface Area: 29.02 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: 3.5
• LOG S: -2.11
• Polar Surface Area: 29.02 Å^2
• Rotatable Bonds: 6