2-chloro-6-methyl-4-phenylquinazoline

• ChemBase ID: 113089
• Molecular Formular: C15H11ClN2
• Molecular Mass: 254.71424
• Monoisotopic Mass: 254.06107604
• SMILES: c12c(nc(nc1ccc(c2)C)Cl)c1ccccc1
• Canonical SMILES: Cc1ccc2c(c1)c(nc(n2)Cl)c1ccccc1
• InChI: InChI=1S/C15H11ClN2/c1-10-7-8-13-12(9-10)14(18-15(16)17-13)11-5-3-2-4-6-11/h2-9H,1H3
• InChIKey: ZHQKTJCMHUYFNT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-6-methyl-4-phenylquinazoline
• IUPAC Traditional name: 2-chloro-6-methyl-4-phenylquinazoline
• Synonyms: 2-Chloro-6-methyl-4-phenyl-quinazoline; 2-chloro-6-methyl-4-phenylquinazoline

Database IDs

• CAS Number: 5185-55-7
• MDL Number: MFCD00436573
• PubChem SID: 162098317
• PubChem CID: 1897009

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.88011
• LogD (pH = 7.4): 4.88011
• Log P: 4.88011
• Molar Refractivity: 74.1045 cm^3
• Polarizability: 30.862213 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 4.367

Product Information

• Purity: 95+%