({2-[(2-fluorophenyl)methoxy]-7-methoxyquinolin-3-yl}methyl)[2-(1H-imidazol-1-yl)ethyl]amine

• ChemBase ID: 848553
• Molecular Formular: C23H23FN4O2
• Molecular Mass: 406.4527232
• Monoisotopic Mass: 406.18050422
• SMILES: n1c(c(cc2c1cc(cc2)OC)CNCCn1cncc1)OCc1c(F)cccc1
• Canonical SMILES: COc1ccc2c(c1)nc(c(c2)CNCCn1cncc1)OCc1ccccc1F
• InChI: InChI=1S/C23H23FN4O2/c1-29-20-7-6-17-12-19(14-25-8-10-28-11-9-26-16-28)23(27-22(17)13-20)30-15-18-4-2-3-5-21(18)24/h2-7,9,11-13,16,25H,8,10,14-15H2,1H3
• InChIKey: YNGZSSYRKKDLCZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ({2-[(2-fluorophenyl)methoxy]-7-methoxyquinolin-3-yl}methyl)[2-(1H-imidazol-1-yl)ethyl]amine
• IUPAC Traditional name: ({2-[(2-fluorophenyl)methoxy]-7-methoxyquinolin-3-yl}methyl)[2-(imidazol-1-yl)ethyl]amine
• Synonyms: ({2-[(2-fluorobenzyl)oxy]-7-methoxy-3-quinolinyl}methyl)[2-(1H-imidazol-1-yl)ethyl]amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.65457225
• LogD (pH = 7.4): 2.6622217
• Log P: 3.7424662
• Molar Refractivity: 113.2367 cm^3
• Polarizability: 44.589718 Å^3
• Polar Surface Area: 61.2 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 3.92
• LOG S: -5.14
• Polar Surface Area: 61.2 Å^2
• Rotatable Bonds: 8