2-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2-dihydroquinoline-4-carboxamide

• ChemBase ID: 319900
• Molecular Formular: C20H18N2O2
• Molecular Mass: 318.36912
• Monoisotopic Mass: 318.13682783
• SMILES: c1(C(=O)NC2Cc3c(CC2)cccc3)c2c([nH]c(=O)c1)cccc2
• Canonical SMILES: O=c1[nH]c2ccccc2c(c1)C(=O)NC1CCc2c(C1)cccc2
• InChI: InChI=1S/C20H18N2O2/c23-19-12-17(16-7-3-4-8-18(16)22-19)20(24)21-15-10-9-13-5-1-2-6-14(13)11-15/h1-8,12,15H,9-11H2,(H,21,24)(H,22,23)
• InChIKey: AWTAOUROQYYVNB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2-dihydroquinoline-4-carboxamide
• IUPAC Traditional name: 2-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-quinoline-4-carboxamide
• Synonyms: 2-oxo-N-(1,2,3,4-tetrahydro-2-naphthalenyl)-1,2-dihydro-4-quinolinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.37174
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.0623212
• LogD (pH = 7.4): 3.0623212
• Log P: 3.0623217
• Molar Refractivity: 94.9457 cm^3
• Polarizability: 35.424732 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 2.9
• LOG S: -4.0
• Polar Surface Area: 61.96 Å^2
• Rotatable Bonds: 2