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

• ChemBase ID: 223492
• Molecular Formular: C16H20N2O3
• Molecular Mass: 288.3416
• Monoisotopic Mass: 288.14739251
• SMILES: c12c(=O)n(ccc1nc(c(c2)C(=O)OC)C)CCC(C)C
• Canonical SMILES: COC(=O)c1cc2c(nc1C)ccn(c2=O)CCC(C)C
• InChI: InChI=1S/C16H20N2O3/c1-10(2)5-7-18-8-6-14-13(15(18)19)9-12(11(3)17-14)16(20)21-4/h6,8-10H,5,7H2,1-4H3
• InChIKey: NUQKKDPEZYZYBY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164279402
• PubChem CID: 43864516

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.3090503
• LogD (pH = 7.4): 2.309652
• Log P: 2.3096597
• Molar Refractivity: 80.7675 cm^3
• Polarizability: 30.459604 Å^3
• Polar Surface Area: 59.5 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds