4-chloro-2-(4-chlorophenyl)-5-methylquinazoline

• ChemBase ID: 812102
• Molecular Formular: C15H10Cl2N2
• Molecular Mass: 289.1593
• Monoisotopic Mass: 288.02210369
• SMILES: c1ccc2nc(nc(c2c1C)Cl)c1ccc(cc1)Cl
• Canonical SMILES: Clc1ccc(cc1)c1nc(Cl)c2c(n1)cccc2C
• InChI: InChI=1S/C15H10Cl2N2/c1-9-3-2-4-12-13(9)14(17)19-15(18-12)10-5-7-11(16)8-6-10/h2-8H,1H3
• InChIKey: JLRUACUTKLKJFI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-2-(4-chlorophenyl)-5-methylquinazoline
• IUPAC Traditional name: 4-chloro-2-(4-chlorophenyl)-5-methylquinazoline
• Synonyms: 4-CHLORO-2-(4-CHLORO-PHENYL)-5-METHYL-QUINAZOLINE

Database IDs

• CAS Number: 885277-78-1

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.7075644
• LogD (pH = 7.4): 5.7076273
• Log P: 5.7076283
• Molar Refractivity: 89.9237 cm^3
• Polarizability: 31.903276 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 98%