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

• ChemBase ID: 222859
• Molecular Formular: C21H22N2O5
• Molecular Mass: 382.40978
• Monoisotopic Mass: 382.15287181
• SMILES: c12c(=O)n(ccc1nc(c(c2)C(=O)OC)C)CCc1cc(c(cc1)OC)OC
• Canonical SMILES: COC(=O)c1cc2c(nc1C)ccn(c2=O)CCc1ccc(c(c1)OC)OC
• InChI: InChI=1S/C21H22N2O5/c1-13-15(21(25)28-4)12-16-17(22-13)8-10-23(20(16)24)9-7-14-5-6-18(26-2)19(11-14)27-3/h5-6,8,10-12H,7,9H2,1-4H3
• InChIKey: YHDOJWWGAXADII-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164278769
• PubChem CID: 43864541

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.3959243
• LogD (pH = 7.4): 2.3965256
• Log P: 2.3965335
• Molar Refractivity: 104.6393 cm^3
• Polarizability: 39.57916 Å^3
• Polar Surface Area: 77.96 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds