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

• ChemBase ID: 653638
• Molecular Formular: C20H21N3O4
• Molecular Mass: 367.39844
• Monoisotopic Mass: 367.15320617
• SMILES: c1(C(=O)N2C(COCC2)CC)nc(oc1)COc1c2ncccc2ccc1
• Canonical SMILES: CCC1COCCN1C(=O)c1coc(n1)COc1cccc2c1nccc2
• InChI: InChI=1S/C20H21N3O4/c1-2-15-11-25-10-9-23(15)20(24)16-12-27-18(22-16)13-26-17-7-3-5-14-6-4-8-21-19(14)17/h3-8,12,15H,2,9-11,13H2,1H3
• InChIKey: QMHDXYVTAKWEPP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.1162753
• LogD (pH = 7.4): 2.1171882
• Log P: 2.1172
• Molar Refractivity: 97.6086 cm^3
• Polarizability: 38.893764 Å^3
• Polar Surface Area: 77.69 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: -0.18
• LOG S: -3.04
• Polar Surface Area: 77.69 Å^2
• Rotatable Bonds: 5