2,4-dichloro-5-methoxyquinazoline

• ChemBase ID: 802354
• Molecular Formular: C9H6Cl2N2O
• Molecular Mass: 229.06274
• Monoisotopic Mass: 227.98571818
• SMILES: c1ccc2nc(nc(c2c1OC)Cl)Cl
• Canonical SMILES: COc1cccc2c1c(Cl)nc(n2)Cl
• InChI: InChI=1S/C9H6Cl2N2O/c1-14-6-4-2-3-5-7(6)8(10)13-9(11)12-5/h2-4H,1H3
• InChIKey: CVILQLUABMGXTG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dichloro-5-methoxyquinazoline
• IUPAC Traditional name: 2,4-dichloro-5-methoxyquinazoline
• Synonyms: 2,4-DICHLORO-5-METHOXYQUINAZOLINE

Database IDs

• CAS Number: 61948-59-2

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.0001633
• LogD (pH = 7.4): 3.0001636
• Log P: 3.0001636
• Molar Refractivity: 56.6284 cm^3
• Polarizability: 22.533432 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%