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

• ChemBase ID: 776322
• Molecular Formular: C20H23N3
• Molecular Mass: 305.41672
• Monoisotopic Mass: 305.18919775
• SMILES: N(Cc1c2c(ncc1)cccc2)(Cc1ccncc1)C(CC)C
• Canonical SMILES: CCC(N(Cc1ccnc2c1cccc2)Cc1ccncc1)C
• InChI: InChI=1S/C20H23N3/c1-3-16(2)23(14-17-8-11-21-12-9-17)15-18-10-13-22-20-7-5-4-6-19(18)20/h4-13,16H,3,14-15H2,1-2H3
• InChIKey: QQNZGOFOUMPMAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.5463983
• LogD (pH = 7.4): 1.9781544
• Log P: 3.8750033
• Molar Refractivity: 94.6691 cm^3
• Polarizability: 38.340096 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