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

• ChemBase ID: 223015
• Molecular Formular: C15H18N2O4
• Molecular Mass: 290.31442
• Monoisotopic Mass: 290.12665707
• SMILES: c12c(=O)n(ccc1nc(c(c2)C(=O)OC)C)CCCOC
• Canonical SMILES: COCCCn1ccc2c(c1=O)cc(c(n2)C)C(=O)OC
• InChI: InChI=1S/C15H18N2O4/c1-10-11(15(19)21-3)9-12-13(16-10)5-7-17(14(12)18)6-4-8-20-2/h5,7,9H,4,6,8H2,1-3H3
• InChIKey: WUAWINFBVPTSJY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164278925
• PubChem CID: 43864519

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.7111165
• LogD (pH = 7.4): 0.71171814
• Log P: 0.71172583
• Molar Refractivity: 78.2542 cm^3
• Polarizability: 29.345686 Å^3
• Polar Surface Area: 68.73 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds