ethyl 4-hydroxy-7-methyl-2-oxo-1-phenyl-1,2-dihydro-1,8-naphthyridine-3-carboxylate

• ChemBase ID: 53350
• Molecular Formular: C18H16N2O4
• Molecular Mass: 324.33064
• Monoisotopic Mass: 324.111007
• SMILES: c1c(nc2c(c1)c(O)c(c(=O)n2c1ccccc1)C(=O)OCC)C
• Canonical SMILES: CCOC(=O)c1c(O)c2ccc(nc2n(c1=O)c1ccccc1)C
• InChI: InChI=1S/C18H16N2O4/c1-3-24-18(23)14-15(21)13-10-9-11(2)19-16(13)20(17(14)22)12-7-5-4-6-8-12/h4-10,21H,3H2,1-2H3
• InChIKey: DVQROHGHOVPKDA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 4-hydroxy-7-methyl-2-oxo-1-phenyl-1,2-dihydro-1,8-naphthyridine-3-carboxylate
• IUPAC Traditional name: ethyl 4-hydroxy-7-methyl-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxylate
• Synonyms: Ethyl 4-hydroxy-7-methyl-2-oxo-1-phenyl-1,2-dihydro-1,8-naphthyridine-3-carboxylate

Database IDs

• MDL Number: MFCD17011921
• PubChem SID: 162058113
• PubChem CID: 54731407

CALCULATED PROPERTIES

• Acid pKa: 4.9597383
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.5424368
• LogD (pH = 7.4): -0.100816905
• Log P: 2.1970537
• Molar Refractivity: 88.4051 cm^3
• Polarizability: 33.51559 Å^3
• Polar Surface Area: 79.73 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%