N-{[2-(2-methoxyphenoxy)pyridin-3-yl]methyl}quinolin-4-amine

• ChemBase ID: 492061
• Molecular Formular: C22H19N3O2
• Molecular Mass: 357.40516
• Monoisotopic Mass: 357.14772686
• SMILES: c1(c(CNc2c3c(ncc2)cccc3)cccn1)Oc1c(OC)cccc1
• Canonical SMILES: COc1ccccc1Oc1ncccc1CNc1ccnc2c1cccc2
• InChI: InChI=1S/C22H19N3O2/c1-26-20-10-4-5-11-21(20)27-22-16(7-6-13-24-22)15-25-19-12-14-23-18-9-3-2-8-17(18)19/h2-14H,15H2,1H3,(H,23,25)
• InChIKey: KVZAHYZFCAAAFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[2-(2-methoxyphenoxy)pyridin-3-yl]methyl}quinolin-4-amine
• IUPAC Traditional name: N-{[2-(2-methoxyphenoxy)pyridin-3-yl]methyl}quinolin-4-amine
• Synonyms: N-{[2-(2-methoxyphenoxy)pyridin-3-yl]methyl}quinolin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.726967
• LogD (pH = 7.4): 3.344348
• Log P: 4.0475526
• Molar Refractivity: 105.6463 cm^3
• Polarizability: 41.498577 Å^3
• Polar Surface Area: 56.27 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: 2.86
• LOG S: -4.25
• Polar Surface Area: 56.27 Å^2
• Rotatable Bonds: 6