N-[(2-{methyl[2-(pyridin-2-yl)ethyl]amino}pyridin-3-yl)methyl]quinolin-2-amine

• ChemBase ID: 583039
• Molecular Formular: C23H23N5
• Molecular Mass: 369.46222
• Monoisotopic Mass: 369.19534576
• SMILES: c1(c(CNc2nc3c(cc2)cccc3)cccn1)N(CCc1ncccc1)C
• Canonical SMILES: CN(c1ncccc1CNc1ccc2c(n1)cccc2)CCc1ccccn1
• InChI: InChI=1S/C23H23N5/c1-28(16-13-20-9-4-5-14-24-20)23-19(8-6-15-25-23)17-26-22-12-11-18-7-2-3-10-21(18)27-22/h2-12,14-15H,13,16-17H2,1H3,(H,26,27)
• InChIKey: IXPFNSWFWADRES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2-{methyl[2-(pyridin-2-yl)ethyl]amino}pyridin-3-yl)methyl]quinolin-2-amine
• IUPAC Traditional name: N-[(2-{methyl[2-(pyridin-2-yl)ethyl]amino}pyridin-3-yl)methyl]quinolin-2-amine
• Synonyms: N-({2-[methyl(2-pyridin-2-ylethyl)amino]pyridin-3-yl}methyl)quinolin-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.722837
• LogD (pH = 7.4): 4.188292
• Log P: 4.2327237
• Molar Refractivity: 114.3173 cm^3
• Polarizability: 43.96077 Å^3
• Polar Surface Area: 53.94 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.93
• LOG S: -3.1
• Polar Surface Area: 53.94 Å^2
• Rotatable Bonds: 7