8-{[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy}-2-(morpholin-4-yl)quinoline

• ChemBase ID: 317633
• Molecular Formular: C22H21N3O4
• Molecular Mass: 391.41984
• Monoisotopic Mass: 391.15320617
• SMILES: n1c(oc(c1COc1c2nc(N3CCOCC3)ccc2ccc1)C)c1occc1
• Canonical SMILES: Cc1oc(nc1COc1cccc2c1nc(cc2)N1CCOCC1)c1ccco1
• InChI: InChI=1S/C22H21N3O4/c1-15-17(23-22(29-15)19-6-3-11-27-19)14-28-18-5-2-4-16-7-8-20(24-21(16)18)25-9-12-26-13-10-25/h2-8,11H,9-10,12-14H2,1H3
• InChIKey: UKMXRTUBLYEPRU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-{[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy}-2-(morpholin-4-yl)quinoline
• IUPAC Traditional name: 8-{[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy}-2-(morpholin-4-yl)quinoline
• Synonyms: 8-{[2-(2-furyl)-5-methyl-1,3-oxazol-4-yl]methoxy}-2-morpholin-4-ylquinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.4773467
• LogD (pH = 7.4): 3.4894876
• Log P: 3.4896448
• Molar Refractivity: 117.7011 cm^3
• Polarizability: 42.41683 Å^3
• Polar Surface Area: 73.76 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: 1.46
• LOG S: -3.3
• Polar Surface Area: 73.76 Å^2
• Rotatable Bonds: 5