ethyl quinoline-4-carboxylate

• ChemBase ID: 292266
• Molecular Formular: C12H11NO2
• Molecular Mass: 201.22124
• Monoisotopic Mass: 201.0789786
• SMILES: CCOC(=O)c1ccnc2c1cccc2
• Canonical SMILES: CCOC(=O)c1ccnc2c1cccc2
• InChI: InChI=1S/C12H11NO2/c1-2-15-12(14)10-7-8-13-11-6-4-3-5-9(10)11/h3-8H,2H2,1H3
• InChIKey: FJWYVZDPWAPMGN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl quinoline-4-carboxylate
• IUPAC Traditional name: ethyl quinoline-4-carboxylate
• Synonyms: Ethyl quinoline-4-carboxylate

Database IDs

• CAS Number: 10447-29-7
• PubChem SID: 180677797
• PubChem CID: 281193

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.4902453
• LogD (pH = 7.4): 2.4911735
• Log P: 2.4911854
• Molar Refractivity: 56.7532 cm^3
• Polarizability: 23.226595 Å^3
• Polar Surface Area: 39.19 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%