N-(3,4-dihydro-2H-1-benzopyran-3-yl)-2-oxo-1,2-dihydroquinoline-4-carboxamide

• ChemBase ID: 733602
• Molecular Formular: C19H16N2O3
• Molecular Mass: 320.34194
• Monoisotopic Mass: 320.11609238
• SMILES: c1(C(=O)NC2Cc3c(OC2)cccc3)c2c([nH]c(=O)c1)cccc2
• Canonical SMILES: O=c1[nH]c2ccccc2c(c1)C(=O)NC1COc2c(C1)cccc2
• InChI: InChI=1S/C19H16N2O3/c22-18-10-15(14-6-2-3-7-16(14)21-18)19(23)20-13-9-12-5-1-4-8-17(12)24-11-13/h1-8,10,13H,9,11H2,(H,20,23)(H,21,22)
• InChIKey: XGZGFBAXDHAMIZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.363804
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.248668
• LogD (pH = 7.4): 2.2486677
• Log P: 2.2486682
• Molar Refractivity: 91.5293 cm^3
• Polarizability: 34.25911 Å^3
• Polar Surface Area: 67.43 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.06
• LOG S: -3.29
• Polar Surface Area: 71.19 Å^2
• Rotatable Bonds: 2