8-ethyl-7H-pyrrolo[2,3-h]quinoline

• ChemBase ID: 184045
• Molecular Formular: C13H12N2
• Molecular Mass: 196.24778
• Monoisotopic Mass: 196.10004839
• SMILES: c12c([nH]c(c1)CC)ccc1c2nccc1
• Canonical SMILES: CCc1[nH]c2c(c1)c1ncccc1cc2
• InChI: InChI=1S/C13H12N2/c1-2-10-8-11-12(15-10)6-5-9-4-3-7-14-13(9)11/h3-8,15H,2H2,1H3
• InChIKey: RKXQYXXCLFLENR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-ethyl-7H-pyrrolo[2,3-h]quinoline
• IUPAC Traditional name: 8-ethyl-7H-pyrrolo[2,3-h]quinoline

Database IDs

• PubChem SID: 164239955
• PubChem CID: 928546

CALCULATED PROPERTIES

• Acid pKa: 16.21808
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.9515395
• LogD (pH = 7.4): 2.9517436
• Log P: 2.9517462
• Molar Refractivity: 60.7395 cm^3
• Polarizability: 25.955454 Å^3
• Polar Surface Area: 28.68 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds