3-(7-methoxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-(quinolin-5-yl)propanamide

• ChemBase ID: 218995
• Molecular Formular: C23H20N2O4
• Molecular Mass: 388.4159
• Monoisotopic Mass: 388.14230713
• SMILES: c1(c(=O)oc2c(c1C)ccc(c2)OC)CCC(=O)Nc1c2c(nccc2)ccc1
• Canonical SMILES: COc1ccc2c(c1)oc(=O)c(c2C)CCC(=O)Nc1cccc2c1cccn2
• InChI: InChI=1S/C23H20N2O4/c1-14-16-9-8-15(28-2)13-21(16)29-23(27)17(14)10-11-22(26)25-20-7-3-6-19-18(20)5-4-12-24-19/h3-9,12-13H,10-11H2,1-2H3,(H,25,26)
• InChIKey: ZDEIPJSOOGTXDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(7-methoxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-(quinolin-5-yl)propanamide
• IUPAC Traditional name: 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(quinolin-5-yl)propanamide

Database IDs

• PubChem SID: 164274905
• PubChem CID: 16408926

CALCULATED PROPERTIES

• Acid pKa: 13.37953
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.4572806
• LogD (pH = 7.4): 3.4811711
• Log P: 3.4814856
• Molar Refractivity: 109.7169 cm^3
• Polarizability: 42.98826 Å^3
• Polar Surface Area: 77.52 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds