8-methoxy-2-methyl-5-[5-(morpholine-4-carbonyl)furan-2-yl]quinoline

• ChemBase ID: 717896
• Molecular Formular: C20H20N2O4
• Molecular Mass: 352.3838
• Monoisotopic Mass: 352.14230713
• SMILES: c1(oc(c2c3c(nc(cc3)C)c(cc2)OC)cc1)C(=O)N1CCOCC1
• Canonical SMILES: COc1ccc(c2c1nc(C)cc2)c1ccc(o1)C(=O)N1CCOCC1
• InChI: InChI=1S/C20H20N2O4/c1-13-3-4-15-14(5-6-17(24-2)19(15)21-13)16-7-8-18(26-16)20(23)22-9-11-25-12-10-22/h3-8H,9-12H2,1-2H3
• InChIKey: JTODRDCEJHLVRP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methoxy-2-methyl-5-[5-(morpholine-4-carbonyl)furan-2-yl]quinoline
• IUPAC Traditional name: 8-methoxy-2-methyl-5-[5-(morpholine-4-carbonyl)furan-2-yl]quinoline
• Synonyms: 8-methoxy-2-methyl-5-[5-(morpholin-4-ylcarbonyl)-2-furyl]quinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.8094914
• LogD (pH = 7.4): 1.8115383
• Log P: 1.8115644
• Molar Refractivity: 96.3849 cm^3
• Polarizability: 39.216927 Å^3
• Polar Surface Area: 64.8 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.75
• LOG S: -4.12
• Polar Surface Area: 64.8 Å^2
• Rotatable Bonds: 3