8-{[4-(2-ethylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methoxy}quinoline

• ChemBase ID: 745083
• Molecular Formular: C21H23N3O3
• Molecular Mass: 365.42562
• Monoisotopic Mass: 365.17394161
• SMILES: c1(C(=O)N2C(CC)CCCC2)nc(oc1)COc1c2ncccc2ccc1
• Canonical SMILES: CCC1CCCCN1C(=O)c1coc(n1)COc1cccc2c1nccc2
• InChI: InChI=1S/C21H23N3O3/c1-2-16-9-3-4-12-24(16)21(25)17-13-27-19(23-17)14-26-18-10-5-7-15-8-6-11-22-20(15)18/h5-8,10-11,13,16H,2-4,9,12,14H2,1H3
• InChIKey: ZWFIWPOMTCUYIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-{[4-(2-ethylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methoxy}quinoline
• IUPAC Traditional name: 8-{[4-(2-ethylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methoxy}quinoline
• Synonyms: 8-({4-[(2-ethyl-1-piperidinyl)carbonyl]-1,3-oxazol-2-yl}methoxy)quinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.1851418
• LogD (pH = 7.4): 3.1860547
• Log P: 3.1860664
• Molar Refractivity: 100.6761 cm^3
• Polarizability: 40.03394 Å^3
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.87
• LOG S: -4.02
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 4