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

• ChemBase ID: 753026
• Molecular Formular: C20H22N4O3
• Molecular Mass: 366.41368
• Monoisotopic Mass: 366.16919058
• SMILES: c1(nc(oc1)COc1cc2c(nccc2)cc1)C(=O)N1CC(NCC1)CC
• Canonical SMILES: CCC1NCCN(C1)C(=O)c1coc(n1)COc1ccc2c(c1)cccn2
• InChI: InChI=1S/C20H22N4O3/c1-2-15-11-24(9-8-21-15)20(25)18-12-27-19(23-18)13-26-16-5-6-17-14(10-16)4-3-7-22-17/h3-7,10,12,15,21H,2,8-9,11,13H2,1H3
• InChIKey: WDBPVSFSNCGUBT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.71217513
• LogD (pH = 7.4): 1.0732248
• Log P: 1.799772
• Molar Refractivity: 99.2895 cm^3
• Polarizability: 39.713726 Å^3
• Polar Surface Area: 80.49 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 0.12
• LOG S: -3.28
• Polar Surface Area: 80.49 Å^2
• Rotatable Bonds: 5