N-(7-methoxyquinolin-3-yl)-2-[(6-methyl-4-oxo-4H-pyran-3-yl)oxy]acetamide

• ChemBase ID: 226223
• Molecular Formular: C18H16N2O5
• Molecular Mass: 340.33004
• Monoisotopic Mass: 340.10592162
• SMILES: c1(c(=O)cc(oc1)C)OCC(=O)Nc1cc2c(nc1)cc(cc2)OC
• Canonical SMILES: COc1ccc2c(c1)ncc(c2)NC(=O)COc1coc(cc1=O)C
• InChI: InChI=1S/C18H16N2O5/c1-11-5-16(21)17(9-24-11)25-10-18(22)20-13-6-12-3-4-14(23-2)7-15(12)19-8-13/h3-9H,10H2,1-2H3,(H,20,22)
• InChIKey: IZRHXNXINFLVRP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(7-methoxyquinolin-3-yl)-2-[(6-methyl-4-oxo-4H-pyran-3-yl)oxy]acetamide
• IUPAC Traditional name: N-(7-methoxyquinolin-3-yl)-2-[(6-methyl-4-oxopyran-3-yl)oxy]acetamide

Database IDs

• PubChem SID: 164282133
• PubChem CID: 71692187

CALCULATED PROPERTIES

• Acid pKa: 11.983555
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 1.5592618
• LogD (pH = 7.4): 1.5713563
• Log P: 1.5715239
• Molar Refractivity: 93.2196 cm^3
• Polarizability: 35.63873 Å^3
• Polar Surface Area: 86.75 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds