ethyl quinoline-2-carboxylate

• ChemBase ID: 288139
• Molecular Formular: C12H11NO2
• Molecular Mass: 201.22124
• Monoisotopic Mass: 201.0789786
• SMILES: CCOC(=O)c1nc2c(cccc2)cc1
• Canonical SMILES: CCOC(=O)c1ccc2c(n1)cccc2
• InChI: InChI=1S/C12H11NO2/c1-2-15-12(14)11-8-7-9-5-3-4-6-10(9)13-11/h3-8H,2H2,1H3
• InChIKey: PWOYTBYNBYNZCO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl quinoline-2-carboxylate
• IUPAC Traditional name: ethyl quinoline-2-carboxylate
• Synonyms: Ethyl quinoline-2-carboxylate

Database IDs

• CAS Number: 4491-33-2
• PubChem SID: 180673670
• PubChem CID: 421739

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.6769783
• LogD (pH = 7.4): 2.677035
• Log P: 2.6770358
• Molar Refractivity: 56.3812 cm^3
• Polarizability: 23.229223 Å^3
• Polar Surface Area: 39.19 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%