N-cyclopropyl-2-oxo-N-[(2E)-3-phenylprop-2-en-1-yl]-1,2-dihydroquinoline-4-carboxamide

• ChemBase ID: 465966
• Molecular Formular: C22H20N2O2
• Molecular Mass: 344.4064
• Monoisotopic Mass: 344.15247789
• SMILES: c1(C(=O)N(C2CC2)C/C=C/c2ccccc2)c2c([nH]c(=O)c1)cccc2
• Canonical SMILES: O=c1[nH]c2ccccc2c(c1)C(=O)N(C1CC1)C/C=C/c1ccccc1
• InChI: InChI=1S/C22H20N2O2/c25-21-15-19(18-10-4-5-11-20(18)23-21)22(26)24(17-12-13-17)14-6-9-16-7-2-1-3-8-16/h1-11,15,17H,12-14H2,(H,23,25)/b9-6+
• InChIKey: QUABOWZNNJZJFL-RMKNXTFCSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.376659
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.5285916
• LogD (pH = 7.4): 3.5285919
• Log P: 3.5285923
• Molar Refractivity: 105.0364 cm^3
• Polarizability: 38.951626 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.93
• LOG S: -4.21
• Polar Surface Area: 53.17 Å^2
• Rotatable Bonds: 5