{[7-chloro-2-(2-methoxyphenyl)quinolin-3-yl]methyl}(methyl)(1,2-oxazol-3-ylmethyl)amine

• ChemBase ID: 825772
• Molecular Formular: C22H20ClN3O2
• Molecular Mass: 393.8661
• Monoisotopic Mass: 393.12440458
• SMILES: c1(nc2c(cc1CN(Cc1nocc1)C)ccc(c2)Cl)c1c(OC)cccc1
• Canonical SMILES: COc1ccccc1c1nc2cc(Cl)ccc2cc1CN(Cc1nocc1)C
• InChI: InChI=1S/C22H20ClN3O2/c1-26(14-18-9-10-28-25-18)13-16-11-15-7-8-17(23)12-20(15)24-22(16)19-5-3-4-6-21(19)27-2/h3-12H,13-14H2,1-2H3
• InChIKey: JXSPSEJWBKYCGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[7-chloro-2-(2-methoxyphenyl)quinolin-3-yl]methyl}(methyl)(1,2-oxazol-3-ylmethyl)amine
• IUPAC Traditional name: {[7-chloro-2-(2-methoxyphenyl)quinolin-3-yl]methyl}(methyl)(1,2-oxazol-3-ylmethyl)amine
• Synonyms: 1-[7-chloro-2-(2-methoxyphenyl)-3-quinolinyl]-N-(3-isoxazolylmethyl)-N-methylmethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.1347008
• LogD (pH = 7.4): 4.5519614
• Log P: 4.7222366
• Molar Refractivity: 110.0866 cm^3
• Polarizability: 44.923798 Å^3
• Polar Surface Area: 51.39 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.81
• LOG S: -4.32
• Polar Surface Area: 51.39 Å^2
• Rotatable Bonds: 6