methyl 6-(2-methoxyethyl)-2-methyl-5-oxo-5,6-dihydro-1,6-naphthyridine-3-carboxylate

• ChemBase ID: 223129
• Molecular Formular: C14H16N2O4
• Molecular Mass: 276.28784
• Monoisotopic Mass: 276.111007
• SMILES: c12c(=O)n(ccc1nc(c(c2)C(=O)OC)C)CCOC
• Canonical SMILES: COCCn1ccc2c(c1=O)cc(c(n2)C)C(=O)OC
• InChI: InChI=1S/C14H16N2O4/c1-9-10(14(18)20-3)8-11-12(15-9)4-5-16(13(11)17)6-7-19-2/h4-5,8H,6-7H2,1-3H3
• InChIKey: ICHSJECIPAQQBZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164279039
• PubChem CID: 20855188

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.6511582
• LogD (pH = 7.4): 0.65175843
• Log P: 0.6517661
• Molar Refractivity: 73.3888 cm^3
• Polarizability: 27.514944 Å^3
• Polar Surface Area: 68.73 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds