ethyl quinoline-8-carboxylate

• ChemBase ID: 288056
• Molecular Formular: C12H11NO2
• Molecular Mass: 201.22124
• Monoisotopic Mass: 201.0789786
• SMILES: O=C(c1c2ncccc2ccc1)OCC
• Canonical SMILES: CCOC(=O)c1cccc2c1nccc2
• InChI: InChI=1S/C12H11NO2/c1-2-15-12(14)10-7-3-5-9-6-4-8-13-11(9)10/h3-8H,2H2,1H3
• InChIKey: WTLGTEPKKMWKPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl quinoline-8-carboxylate
• IUPAC Traditional name: ethyl quinoline-8-carboxylate
• Synonyms: Ethyl 8-quinolinecarboxylate

Database IDs

• CAS Number: 25635-22-7
• PubChem SID: 180673587
• PubChem CID: 154876

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.4905374
• LogD (pH = 7.4): 2.4911773
• Log P: 2.4911854
• Molar Refractivity: 56.7532 cm^3
• Polarizability: 23.224802 Å^3
• Polar Surface Area: 39.19 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%