6-{[4-(3-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methoxy}quinoline

• ChemBase ID: 768957
• Molecular Formular: C20H21N3O3
• Molecular Mass: 351.39904
• Monoisotopic Mass: 351.15829155
• SMILES: c1(nc(oc1)COc1cc2c(nccc2)cc1)C(=O)N1CC(CCC1)C
• Canonical SMILES: CC1CCCN(C1)C(=O)c1coc(n1)COc1ccc2c(c1)cccn2
• InChI: InChI=1S/C20H21N3O3/c1-14-4-3-9-23(11-14)20(24)18-12-26-19(22-18)13-25-16-6-7-17-15(10-16)5-2-8-21-17/h2,5-8,10,12,14H,3-4,9,11,13H2,1H3
• InChIKey: CWTFKEOAEYTFIS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-{[4-(3-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methoxy}quinoline
• IUPAC Traditional name: 6-{[4-(3-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methoxy}quinoline
• Synonyms: 6-({4-[(3-methyl-1-piperidinyl)carbonyl]-1,3-oxazol-2-yl}methoxy)quinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.5598502
• LogD (pH = 7.4): 2.6112416
• Log P: 2.6119418
• Molar Refractivity: 96.2049 cm^3
• Polarizability: 38.186165 Å^3
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.34
• LOG S: -3.83
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 4