4-chlorobenzo[g]quinazoline

• ChemBase ID: 281296
• Molecular Formular: C12H7ClN2
• Molecular Mass: 214.65038
• Monoisotopic Mass: 214.02977591
• SMILES: c12c(ncnc2Cl)cc2c(c1)cccc2
• Canonical SMILES: Clc1ncnc2c1cc1ccccc1c2
• InChI: InChI=1S/C12H7ClN2/c13-12-10-5-8-3-1-2-4-9(8)6-11(10)14-7-15-12/h1-7H
• InChIKey: XTNHXFOZPLRRNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chlorobenzo[g]quinazoline
• IUPAC Traditional name: 4-chlorobenzo[g]quinazoline
• Synonyms: 4-chlorobenzo[g]quinazoline

Database IDs

• MDL Number: MFCD11505647
• PubChem SID: 180666827
• PubChem CID: 11063805

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.2387605
• LogD (pH = 7.4): 3.2387612
• Log P: 3.2387612
• Molar Refractivity: 61.1168 cm^3
• Polarizability: 25.574486 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.997

Product Information

• Purity: 95%