4-chloropyrrolo[1,2-a]quinoxaline

• ChemBase ID: 86172
• Molecular Formular: C11H7ClN2
• Molecular Mass: 202.63968
• Monoisotopic Mass: 202.02977591
• SMILES: n12c(ccc1)c(nc1c2cccc1)Cl
• Canonical SMILES: Clc1nc2ccccc2n2c1ccc2
• InChI: InChI=1S/C11H7ClN2/c12-11-10-6-3-7-14(10)9-5-2-1-4-8(9)13-11/h1-7H
• InChIKey: JCMYTAKENOIBNF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloropyrrolo[1,2-a]quinoxaline
• IUPAC Traditional name: 4-chloropyrrolo[1,2-a]quinoxaline
• Synonyms: 4-chloropyrrolo[1,2-a]quinoxaline

Database IDs

• MDL Number: MFCD01443631
• PubChem SID: 162073288
• PubChem CID: 5183590

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.6210375
• LogD (pH = 7.4): 2.6210375
• Log P: 2.6210375
• Molar Refractivity: 57.8056 cm^3
• Polarizability: 23.442495 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true