N-cyclopropyl-2,8-dimethyl-N-[(2E)-3-phenylprop-2-en-1-yl]quinoline-4-carboxamide

• ChemBase ID: 481699
• Molecular Formular: C24H24N2O
• Molecular Mass: 356.46016
• Monoisotopic Mass: 356.1888634
• SMILES: C(=O)(c1c2c(nc(c1)C)c(ccc2)C)N(C1CC1)C/C=C/c1ccccc1
• Canonical SMILES: Cc1cc(C(=O)N(C2CC2)C/C=C/c2ccccc2)c2c(n1)c(C)ccc2
• InChI: InChI=1S/C24H24N2O/c1-17-8-6-12-21-22(16-18(2)25-23(17)21)24(27)26(20-13-14-20)15-7-11-19-9-4-3-5-10-19/h3-12,16,20H,13-15H2,1-2H3/b11-7+
• InChIKey: DVHDCGFSSPUVID-YRNVUSSQSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-2,8-dimethyl-N-[(2E)-3-phenylprop-2-en-1-yl]quinoline-4-carboxamide
• IUPAC Traditional name: N-cyclopropyl-2,8-dimethyl-N-[(2E)-3-phenylprop-2-en-1-yl]quinoline-4-carboxamide
• Synonyms: N-cyclopropyl-2,8-dimethyl-N-[(2E)-3-phenyl-2-propen-1-yl]-4-quinolinecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.869891
• LogD (pH = 7.4): 4.8735905
• Log P: 4.8736377
• Molar Refractivity: 110.6262 cm^3
• Polarizability: 43.142284 Å^3
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 4.2
• LOG S: -5.39
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 5