methyl 6-[(4-methoxyphenyl)methyl]-2-methyl-5-oxo-5,6-dihydro-1,6-naphthyridine-3-carboxylate

• ChemBase ID: 222973
• Molecular Formular: C19H18N2O4
• Molecular Mass: 338.35722
• Monoisotopic Mass: 338.12665707
• SMILES: c12c(=O)n(ccc1nc(c(c2)C(=O)OC)C)Cc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)Cn1ccc2c(c1=O)cc(c(n2)C)C(=O)OC
• InChI: InChI=1S/C19H18N2O4/c1-12-15(19(23)25-3)10-16-17(20-12)8-9-21(18(16)22)11-13-4-6-14(24-2)7-5-13/h4-10H,11H2,1-3H3
• InChIKey: KSVRCXCKXORFDB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 6-[(4-methoxyphenyl)methyl]-2-methyl-5-oxo-5,6-dihydro-1,6-naphthyridine-3-carboxylate
• IUPAC Traditional name: methyl 6-[(4-methoxyphenyl)methyl]-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate

Database IDs

• PubChem SID: 164278883
• PubChem CID: 43864530

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.264938
• LogD (pH = 7.4): 2.2655358
• Log P: 2.2655435
• Molar Refractivity: 93.4211 cm^3
• Polarizability: 35.20478 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