N,N-dimethyl-5-[(2-oxo-1,2-dihydroquinolin-1-yl)methyl]furan-2-carboxamide

• ChemBase ID: 468087
• Molecular Formular: C17H16N2O3
• Molecular Mass: 296.32054
• Monoisotopic Mass: 296.11609238
• SMILES: n1(c(=O)ccc2c1cccc2)Cc1oc(C(=O)N(C)C)cc1
• Canonical SMILES: O=C(c1ccc(o1)Cn1c(=O)ccc2c1cccc2)N(C)C
• InChI: InChI=1S/C17H16N2O3/c1-18(2)17(21)15-9-8-13(22-15)11-19-14-6-4-3-5-12(14)7-10-16(19)20/h3-10H,11H2,1-2H3
• InChIKey: DVWGRHDTAJYJLM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-5-[(2-oxo-1,2-dihydroquinolin-1-yl)methyl]furan-2-carboxamide
• IUPAC Traditional name: N,N-dimethyl-5-[(2-oxoquinolin-1-yl)methyl]furan-2-carboxamide
• Synonyms: N,N-dimethyl-5-[(2-oxoquinolin-1(2H)-yl)methyl]-2-furamide

CALCULATED PROPERTIES

JChem

• Polarizability: 30.979567 Å^3
• Polar Surface Area: 53.76 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.4639217
• LogD (pH = 7.4): 1.4639217
• Log P: 1.4639217
• Molar Refractivity: 84.1479 cm^3

供应商提供(Chembridge)

• Polar Surface Area: 55.45 Å^2
• Rotatable Bonds: 3
• H Acceptors: 3
• H Donor: 0
• Log P: 1.51
• LOG S: -2.65