2-(chloromethyl)-4-phenylquinazoline

• ChemBase ID: 254586
• Molecular Formular: C15H11ClN2
• Molecular Mass: 254.71424
• Monoisotopic Mass: 254.06107604
• SMILES: c1(nc(nc2c1cccc2)CCl)c1ccccc1
• Canonical SMILES: ClCc1nc2ccccc2c(n1)c1ccccc1
• InChI: InChI=1S/C15H11ClN2/c16-10-14-17-13-9-5-4-8-12(13)15(18-14)11-6-2-1-3-7-11/h1-9H,10H2
• InChIKey: NGRVPHUNJJYOBH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(chloromethyl)-4-phenylquinazoline
• IUPAC Traditional name: 2-(chloromethyl)-4-phenylquinazoline
• Synonyms: 2-(chloromethyl)-4-phenylquinazoline

Database IDs

• MDL Number: MFCD09806806
• PubChem SID: 164310496
• PubChem CID: 11097148

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.5639396
• LogD (pH = 7.4): 4.5639534
• Log P: 4.563954
• Molar Refractivity: 72.9423 cm^3
• Polarizability: 30.758316 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.732

Product Information

• Purity: 95%