methyl 2,6-dimethyl-5-oxo-5,6-dihydro-1,6-naphthyridine-3-carboxylate

• ChemBase ID: 223302
• Molecular Formular: C12H12N2O3
• Molecular Mass: 232.23528
• Monoisotopic Mass: 232.08479225
• SMILES: c12c(=O)n(ccc1nc(c(c2)C(=O)OC)C)C
• Canonical SMILES: COC(=O)c1cc2c(nc1C)ccn(c2=O)C
• InChI: InChI=1S/C12H12N2O3/c1-7-8(12(16)17-3)6-9-10(13-7)4-5-14(2)11(9)15/h4-6H,1-3H3
• InChIKey: ZWIAXXFTWJFMJL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2,6-dimethyl-5-oxo-5,6-dihydro-1,6-naphthyridine-3-carboxylate
• IUPAC Traditional name: methyl 2,6-dimethyl-5-oxo-1,6-naphthyridine-3-carboxylate

Database IDs

• PubChem SID: 164279212
• PubChem CID: 43864508

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.698129
• LogD (pH = 7.4): 0.69873387
• Log P: 0.6987416
• Molar Refractivity: 62.3453 cm^3
• Polarizability: 23.123135 Å^3
• Polar Surface Area: 59.5 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds