4-chloro-5-methyl-2-phenylquinazoline

• ChemBase ID: 812075
• Molecular Formular: C15H11ClN2
• Molecular Mass: 254.71424
• Monoisotopic Mass: 254.06107604
• SMILES: c1ccc2nc(nc(c2c1C)Cl)c1ccccc1
• Canonical SMILES: Clc1nc(nc2c1c(C)ccc2)c1ccccc1
• InChI: InChI=1S/C15H11ClN2/c1-10-6-5-9-12-13(10)14(16)18-15(17-12)11-7-3-2-4-8-11/h2-9H,1H3
• InChIKey: FEJDIIICHHISEJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-5-methyl-2-phenylquinazoline
• IUPAC Traditional name: 4-chloro-5-methyl-2-phenylquinazoline
• Synonyms: 4-CHLORO-5-METHYL-2-PHENYL-QUINAZOLINE

Database IDs

• CAS Number: 885277-13-4

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.143376
• LogD (pH = 7.4): 5.1434393
• Log P: 5.1434402
• Molar Refractivity: 85.1189 cm^3
• Polarizability: 30.09259 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 98%