5-tert-butyl-4-[(2-oxo-1,2,3,4-tetrahydroquinolin-1-yl)methyl]furan-2-carboxamide

• ChemBase ID: 342404
• Molecular Formular: C19H22N2O3
• Molecular Mass: 326.38958
• Monoisotopic Mass: 326.16304257
• SMILES: c1(c(oc(c1)C(=O)N)C(C)(C)C)CN1C(=O)CCc2c1cccc2
• Canonical SMILES: O=C1CCc2c(N1Cc1cc(oc1C(C)(C)C)C(=O)N)cccc2
• InChI: InChI=1S/C19H22N2O3/c1-19(2,3)17-13(10-15(24-17)18(20)23)11-21-14-7-5-4-6-12(14)8-9-16(21)22/h4-7,10H,8-9,11H2,1-3H3,(H2,20,23)
• InChIKey: RBCMRBBRJHDZAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-tert-butyl-4-[(2-oxo-1,2,3,4-tetrahydroquinolin-1-yl)methyl]furan-2-carboxamide
• IUPAC Traditional name: 5-tert-butyl-4-[(2-oxo-3,4-dihydroquinolin-1-yl)methyl]furan-2-carboxamide
• Synonyms: 5-tert-butyl-4-[(2-oxo-3,4-dihydroquinolin-1(2H)-yl)methyl]-2-furamide

CALCULATED PROPERTIES

JChem

• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• Acid pKa: 13.725542
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.4811025
• LogD (pH = 7.4): 2.4811025
• Log P: 2.4811025
• Molar Refractivity: 91.9271 cm^3
• Polarizability: 34.75002 Å^3
• Polar Surface Area: 76.54 Å^2

供应商提供(Chembridge)

• Rotatable Bonds: 4
• H Acceptors: 3
• H Donor: 1
• Log P: 2.9
• LOG S: -4.06
• Polar Surface Area: 76.54 Å^2