2-methoxy-N-{[1-(quinolin-2-ylmethyl)-1,2,5,6-tetrahydropyridin-3-yl]methyl}acetamide

• ChemBase ID: 611068
• Molecular Formular: C19H23N3O2
• Molecular Mass: 325.40482
• Monoisotopic Mass: 325.17902699
• SMILES: n1c2c(ccc1CN1CC(=CCC1)CNC(=O)COC)cccc2
• Canonical SMILES: COCC(=O)NCC1=CCCN(C1)Cc1ccc2c(n1)cccc2
• InChI: InChI=1S/C19H23N3O2/c1-24-14-19(23)20-11-15-5-4-10-22(12-15)13-17-9-8-16-6-2-3-7-18(16)21-17/h2-3,5-9H,4,10-14H2,1H3,(H,20,23)
• InChIKey: AVJJFFRWBPEFNP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-N-{[1-(quinolin-2-ylmethyl)-1,2,5,6-tetrahydropyridin-3-yl]methyl}acetamide
• IUPAC Traditional name: 2-methoxy-N-{[1-(quinolin-2-ylmethyl)-5,6-dihydro-2H-pyridin-3-yl]methyl}acetamide
• Synonyms: 2-methoxy-N-{[1-(quinolin-2-ylmethyl)-1,2,5,6-tetrahydropyridin-3-yl]methyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.128761
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.5009978
• LogD (pH = 7.4): 1.0441629
• Log P: 1.2985544
• Molar Refractivity: 94.7158 cm^3
• Polarizability: 37.83263 Å^3
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.03
• LOG S: -2.45
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 6