6-{[3-(3-propoxypiperidine-1-carbonyl)-1,2-oxazol-5-yl]methoxy}quinoline

• ChemBase ID: 505882
• Molecular Formular: C22H25N3O4
• Molecular Mass: 395.4516
• Monoisotopic Mass: 395.1845063
• SMILES: c1(C(=O)N2CC(OCCC)CCC2)noc(c1)COc1cc2c(nccc2)cc1
• Canonical SMILES: CCCOC1CCCN(C1)C(=O)c1noc(c1)COc1ccc2c(c1)cccn2
• InChI: InChI=1S/C22H25N3O4/c1-2-11-27-18-6-4-10-25(14-18)22(26)21-13-19(29-24-21)15-28-17-7-8-20-16(12-17)5-3-9-23-20/h3,5,7-9,12-13,18H,2,4,6,10-11,14-15H2,1H3
• InChIKey: RVEQSWIHFLENRR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-{[3-(3-propoxypiperidine-1-carbonyl)-1,2-oxazol-5-yl]methoxy}quinoline
• IUPAC Traditional name: 6-{[3-(3-propoxypiperidine-1-carbonyl)-1,2-oxazol-5-yl]methoxy}quinoline
• Synonyms: 6-({3-[(3-propoxy-1-piperidinyl)carbonyl]-5-isoxazolyl}methoxy)quinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.9116333
• LogD (pH = 7.4): 2.9633064
• Log P: 2.964011
• Molar Refractivity: 108.4017 cm^3
• Polarizability: 42.569942 Å^3
• Polar Surface Area: 77.69 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 2.86
• LOG S: -4.77
• Polar Surface Area: 77.69 Å^2
• Rotatable Bonds: 5