ethyl 4-hydroxy-1-(2-methoxyethyl)-7-methyl-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxylate

• ChemBase ID: 53356
• Molecular Formular: C15H18N2O5
• Molecular Mass: 306.31382
• Monoisotopic Mass: 306.12157169
• SMILES: c1c(nc2c(c1)c(O)c(c(=O)n2CCOC)C(=O)OCC)C
• Canonical SMILES: COCCn1c(=O)c(C(=O)OCC)c(c2c1nc(C)cc2)O
• InChI: InChI=1S/C15H18N2O5/c1-4-22-15(20)11-12(18)10-6-5-9(2)16-13(10)17(14(11)19)7-8-21-3/h5-6,18H,4,7-8H2,1-3H3
• InChIKey: RKGBUENNCVTCPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 4-hydroxy-1-(2-methoxyethyl)-7-methyl-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxylate
• IUPAC Traditional name: ethyl 4-hydroxy-1-(2-methoxyethyl)-7-methyl-2-oxo-1,8-naphthyridine-3-carboxylate
• Synonyms: Ethyl 4-hydroxy-1-(2-methoxyethyl)-7-methyl-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxylate

Database IDs

• MDL Number: MFCD17011927
• PubChem SID: 162058119
• PubChem CID: 54731418

CALCULATED PROPERTIES

• Acid pKa: 5.1290827
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.04989229
• LogD (pH = 7.4): -1.6896094
• Log P: 0.4921197
• Molar Refractivity: 79.671 cm^3
• Polarizability: 30.220089 Å^3
• Polar Surface Area: 88.96 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%