4,6-dichloro-2-(4-methoxyphenyl)quinazoline

• ChemBase ID: 812076
• Molecular Formular: C15H10Cl2N2O
• Molecular Mass: 305.1587
• Monoisotopic Mass: 304.01701831
• SMILES: c1(ccc2nc(nc(c2c1)Cl)c1ccc(cc1)OC)Cl
• Canonical SMILES: COc1ccc(cc1)c1nc(Cl)c2c(n1)ccc(c2)Cl
• InChI: InChI=1S/C15H10Cl2N2O/c1-20-11-5-2-9(3-6-11)15-18-13-7-4-10(16)8-12(13)14(17)19-15/h2-8H,1H3
• InChIKey: DNGVFPCYTJPFHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,6-dichloro-2-(4-methoxyphenyl)quinazoline
• IUPAC Traditional name: 4,6-dichloro-2-(4-methoxyphenyl)quinazoline
• Synonyms: 4,6-DICHLORO-2-(4-METHOXY-PHENYL)-QUINAZOLINE

Database IDs

• CAS Number: 461036-87-3

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.0117345
• LogD (pH = 7.4): 5.0117373
• Log P: 5.0117373
• Molar Refractivity: 91.3457 cm^3
• Polarizability: 32.64174 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 98%