5-methoxy-N-methyl-N-(quinolin-4-ylmethyl)furan-2-carboxamide

• ChemBase ID: 438333
• Molecular Formular: C17H16N2O3
• Molecular Mass: 296.32054
• Monoisotopic Mass: 296.11609238
• SMILES: c1(C(=O)N(Cc2c3c(ncc2)cccc3)C)oc(cc1)OC
• Canonical SMILES: COc1ccc(o1)C(=O)N(Cc1ccnc2c1cccc2)C
• InChI: InChI=1S/C17H16N2O3/c1-19(17(20)15-7-8-16(21-2)22-15)11-12-9-10-18-14-6-4-3-5-13(12)14/h3-10H,11H2,1-2H3
• InChIKey: LYUAWHMOYMRGPP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxy-N-methyl-N-(quinolin-4-ylmethyl)furan-2-carboxamide
• IUPAC Traditional name: 5-methoxy-N-methyl-N-(quinolin-4-ylmethyl)furan-2-carboxamide
• Synonyms: 5-methoxy-N-methyl-N-(4-quinolinylmethyl)-2-furamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.1136315
• LogD (pH = 7.4): 2.1448185
• Log P: 2.1452324
• Molar Refractivity: 81.5711 cm^3
• Polarizability: 32.437668 Å^3
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.08
• LOG S: -3.09
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 3