{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}[(8-methoxyquinolin-5-yl)methyl]methylamine

• ChemBase ID: 670608
• Molecular Formular: C23H22ClN3O2
• Molecular Mass: 407.89268
• Monoisotopic Mass: 407.14005464
• SMILES: n1c(c(oc1c1ccc(cc1)Cl)C)CN(Cc1c2c(nccc2)c(cc1)OC)C
• Canonical SMILES: COc1ccc(c2c1nccc2)CN(Cc1nc(oc1C)c1ccc(cc1)Cl)C
• InChI: InChI=1S/C23H22ClN3O2/c1-15-20(26-23(29-15)16-6-9-18(24)10-7-16)14-27(2)13-17-8-11-21(28-3)22-19(17)5-4-12-25-22/h4-12H,13-14H2,1-3H3
• InChIKey: WIYVNANQHTWLCG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}[(8-methoxyquinolin-5-yl)methyl]methylamine
• IUPAC Traditional name: {[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}[(8-methoxyquinolin-5-yl)methyl]methylamine
• Synonyms: 1-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[(8-methoxy-5-quinolinyl)methyl]-N-methylmethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.311366
• LogD (pH = 7.4): 4.0161667
• Log P: 4.4908385
• Molar Refractivity: 124.8411 cm^3
• Polarizability: 46.004303 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: 4.65
• LOG S: -4.34
• Polar Surface Area: 51.39 Å^2
• Rotatable Bonds: 5