N-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-5-propyl-1,2-oxazole-3-carboxamide

• ChemBase ID: 760751
• Molecular Formular: C19H21N3O3
• Molecular Mass: 339.38834
• Monoisotopic Mass: 339.15829155
• SMILES: c1(noc(c1)CCC)C(=O)N(Cc1c2c(nccc2)c(cc1)OC)C
• Canonical SMILES: CCCc1onc(c1)C(=O)N(Cc1ccc(c2c1cccn2)OC)C
• InChI: InChI=1S/C19H21N3O3/c1-4-6-14-11-16(21-25-14)19(23)22(2)12-13-8-9-17(24-3)18-15(13)7-5-10-20-18/h5,7-11H,4,6,12H2,1-3H3
• InChIKey: GDSBVCSRBYNUPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-5-propyl-1,2-oxazole-3-carboxamide
• IUPAC Traditional name: N-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-5-propyl-1,2-oxazole-3-carboxamide
• Synonyms: N-[(8-methoxy-5-quinolinyl)methyl]-N-methyl-5-propyl-3-isoxazolecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.9123075
• LogD (pH = 7.4): 2.9127374
• Log P: 2.9127429
• Molar Refractivity: 95.2716 cm^3
• Polarizability: 37.00671 Å^3
• Polar Surface Area: 68.46 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: 1.22
• LOG S: -2.72
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 6