N-(furan-2-ylmethyl)-N-(prop-2-en-1-yl)quinoline-3-carboxamide

• ChemBase ID: 860371
• Molecular Formular: C18H16N2O2
• Molecular Mass: 292.33184
• Monoisotopic Mass: 292.12117776
• SMILES: c1(C(=O)N(Cc2occc2)CC=C)cc2c(nc1)cccc2
• Canonical SMILES: C=CCN(C(=O)c1cnc2c(c1)cccc2)Cc1ccco1
• InChI: InChI=1S/C18H16N2O2/c1-2-9-20(13-16-7-5-10-22-16)18(21)15-11-14-6-3-4-8-17(14)19-12-15/h2-8,10-12H,1,9,13H2
• InChIKey: LBWSEPIOEBOPRD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(furan-2-ylmethyl)-N-(prop-2-en-1-yl)quinoline-3-carboxamide
• IUPAC Traditional name: N-(furan-2-ylmethyl)-N-(prop-2-en-1-yl)quinoline-3-carboxamide
• Synonyms: N-allyl-N-(2-furylmethyl)quinoline-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.9435258
• LogD (pH = 7.4): 2.9448457
• Log P: 2.9448624
• Molar Refractivity: 85.0173 cm^3
• Polarizability: 33.372654 Å^3
• Polar Surface Area: 46.34 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.03
• LOG S: -3.92
• Polar Surface Area: 46.34 Å^2
• Rotatable Bonds: 5