{[7-methoxy-2-(thiophen-3-yl)quinolin-3-yl]methyl}[(2-methoxyphenyl)methyl]amine

• ChemBase ID: 570689
• Molecular Formular: C23H22N2O2S
• Molecular Mass: 390.49798
• Monoisotopic Mass: 390.14019895
• SMILES: n1c(c2cscc2)c(cc2c1cc(cc2)OC)CNCc1c(OC)cccc1
• Canonical SMILES: COc1ccc2c(c1)nc(c(c2)CNCc1ccccc1OC)c1cscc1
• InChI: InChI=1S/C23H22N2O2S/c1-26-20-8-7-16-11-19(14-24-13-17-5-3-4-6-22(17)27-2)23(25-21(16)12-20)18-9-10-28-15-18/h3-12,15,24H,13-14H2,1-2H3
• InChIKey: FBFZTAAJISSLOI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[7-methoxy-2-(thiophen-3-yl)quinolin-3-yl]methyl}[(2-methoxyphenyl)methyl]amine
• IUPAC Traditional name: {[7-methoxy-2-(thiophen-3-yl)quinolin-3-yl]methyl}[(2-methoxyphenyl)methyl]amine
• Synonyms: (2-methoxybenzyl){[7-methoxy-2-(3-thienyl)-3-quinolinyl]methyl}amine

CALCULATED PROPERTIES

供应商提供(Chembridge)

• H Donor: 1
• Log P: 4.24
• LOG S: -4.47
• Polar Surface Area: 43.38 Å^2
• Rotatable Bonds: 5
• H Acceptors: 4

JChem

• LogD (pH = 5.5): 1.9931583
• LogD (pH = 7.4): 3.5978823
• Log P: 4.9118977
• Molar Refractivity: 112.6363 cm^3
• Polarizability: 46.45912 Å^3
• Polar Surface Area: 43.38 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 1