4-chloro-6,8-dimethylquinazoline

• ChemBase ID: 806703
• Molecular Formular: C10H9ClN2
• Molecular Mass: 192.64486
• Monoisotopic Mass: 192.04542598
• SMILES: c1(cc(c2ncnc(c2c1)Cl)C)C
• Canonical SMILES: Cc1cc(C)c2c(c1)c(Cl)ncn2
• InChI: InChI=1S/C10H9ClN2/c1-6-3-7(2)9-8(4-6)10(11)13-5-12-9/h3-5H,1-2H3
• InChIKey: QTAHKHWLAWFVQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-6,8-dimethylquinazoline
• IUPAC Traditional name: 4-chloro-6,8-dimethylquinazoline
• Synonyms: 4-CHLORO-6,8-DIMETHYLQUINAZOLINE

Database IDs

• CAS Number: 160585-42-2

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.27611
• LogD (pH = 7.4): 3.2761269
• Log P: 3.276127
• Molar Refractivity: 54.749 cm^3
• Polarizability: 21.519726 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%