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

• ChemBase ID: 53336
• Molecular Formular: C14H16N2O5
• Molecular Mass: 292.28724
• Monoisotopic Mass: 292.10592162
• SMILES: c1cnc2c(c1)c(O)c(c(=O)n2CCOC)C(=O)OCC
• Canonical SMILES: COCCn1c(=O)c(C(=O)OCC)c(c2c1nccc2)O
• InChI: InChI=1S/C14H16N2O5/c1-3-21-14(19)10-11(17)9-5-4-6-15-12(9)16(13(10)18)7-8-20-2/h4-6,17H,3,7-8H2,1-2H3
• InChIKey: UPIOHCLYCSXZGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD17011907
• PubChem SID: 162058099
• PubChem CID: 54731403

CALCULATED PROPERTIES

• Acid pKa: 4.7743673
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.44457313
• LogD (pH = 7.4): -2.0600367
• Log P: 0.36074954
• Molar Refractivity: 75.0795 cm^3
• Polarizability: 28.465406 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%