ethyl pyrrolo[1,2-a]quinoline-2-carboxylate

• ChemBase ID: 76943
• Molecular Formular: C15H13NO2
• Molecular Mass: 239.26922
• Monoisotopic Mass: 239.09462866
• SMILES: n12c(cc(c1)C(=O)OCC)ccc1ccccc21
• Canonical SMILES: CCOC(=O)c1cn2c(c1)ccc1c2cccc1
• InChI: InChI=1S/C15H13NO2/c1-2-18-15(17)12-9-13-8-7-11-5-3-4-6-14(11)16(13)10-12/h3-10H,2H2,1H3
• InChIKey: QJEYZIIXKJLBIY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl pyrrolo[1,2-a]quinoline-2-carboxylate
• IUPAC Traditional name: ethyl pyrrolo[1,2-a]quinoline-2-carboxylate
• Synonyms: Pyrrolo[1,2-a]quinoline-2-carboxylic acid ethyl ester; Ethyl pyrrolo[1,2-a]quinoline-2-carboxylate

Database IDs

• CAS Number: 76577-82-7
• MDL Number: MFCD08056189
• PubChem SID: 162041842
• PubChem CID: 14067610

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.9889226
• LogD (pH = 7.4): 2.9889226
• Log P: 2.9889226
• Molar Refractivity: 71.2423 cm^3
• Polarizability: 28.675266 Å^3
• Polar Surface Area: 30.71 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant