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

• ChemBase ID: 600553
• Molecular Formular: C21H20N2O4
• Molecular Mass: 364.3945
• Monoisotopic Mass: 364.14230713
• SMILES: n1c(oc(c1COc1c2c(c(cc1)COCC)cccn2)C)c1occc1
• Canonical SMILES: CCOCc1ccc(c2c1cccn2)OCc1nc(oc1C)c1ccco1
• InChI: InChI=1S/C21H20N2O4/c1-3-24-12-15-8-9-18(20-16(15)6-4-10-22-20)26-13-17-14(2)27-21(23-17)19-7-5-11-25-19/h4-11H,3,12-13H2,1-2H3
• InChIKey: OFOPAXZRZYAILG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.2378514
• LogD (pH = 7.4): 3.2382238
• Log P: 3.2382286
• Molar Refractivity: 110.2002 cm^3
• Polarizability: 40.166225 Å^3
• Polar Surface Area: 70.52 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: 3.16
• LOG S: -4.56
• Polar Surface Area: 70.52 Å^2
• Rotatable Bonds: 7