1H-pyrrolo[3,2-h]quinoline

• ChemBase ID: 61552
• Molecular Formular: C11H8N2
• Molecular Mass: 168.19462
• Monoisotopic Mass: 168.06874827
• SMILES: c12c3ncccc3ccc2cc[nH]1
• Canonical SMILES: c1ccc2c(n1)c1[nH]ccc1cc2
• InChI: InChI=1S/C11H8N2/c1-2-8-3-4-9-5-7-13-11(9)10(8)12-6-1/h1-7,13H
• InChIKey: WNCAJASYDRNBHG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1H-pyrrolo[3,2-h]quinoline
• IUPAC Traditional name: 1H-pyrrolo[3,2-h]quinoline
• Synonyms: 1H-Pyrrolo[3,2-h]quinoline

Database IDs

• CAS Number: 233-88-5
• MDL Number: MFCD00214439
• PubChem SID: 162027293
• PubChem CID: 164570

CALCULATED PROPERTIES

• Acid pKa: 15.070774
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.155122
• LogD (pH = 7.4): 2.2286308
• Log P: 2.2296624
• Molar Refractivity: 51.0658 cm^3
• Polarizability: 22.358475 Å^3
• Polar Surface Area: 28.68 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%