[(8-methoxyquinolin-5-yl)methyl](methyl){[3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}amine

• ChemBase ID: 402991
• Molecular Formular: C24H26N4O5
• Molecular Mass: 450.48704
• Monoisotopic Mass: 450.19031995
• SMILES: c1(nc(on1)CN(Cc1c2c(nccc2)c(cc1)OC)C)c1c(c(c(cc1)OC)OC)OC
• Canonical SMILES: COc1c(OC)ccc(c1OC)c1noc(n1)CN(Cc1ccc(c2c1cccn2)OC)C
• InChI: InChI=1S/C24H26N4O5/c1-28(13-15-8-10-18(29-2)21-16(15)7-6-12-25-21)14-20-26-24(27-33-20)17-9-11-19(30-3)23(32-5)22(17)31-4/h6-12H,13-14H2,1-5H3
• InChIKey: IIRYTCDPRLXNOL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(8-methoxyquinolin-5-yl)methyl](methyl){[3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}amine
• IUPAC Traditional name: [(8-methoxyquinolin-5-yl)methyl](methyl){[3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}amine
• Synonyms: 1-(8-methoxy-5-quinolinyl)-N-methyl-N-{[3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 8
• H Donor: 0
• LogD (pH = 5.5): 1.5142258
• LogD (pH = 7.4): 3.076144
• Log P: 3.343063
• Molar Refractivity: 134.3416 cm^3
• Polarizability: 49.04976 Å^3
• Polar Surface Area: 91.97 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 9
• H Donor: 0
• Log P: 2.24
• LOG S: -2.53
• Polar Surface Area: 91.97 Å^2
• Rotatable Bonds: 5