6-bromo-4-(morpholin-4-yl)quinazoline

• ChemBase ID: 311464
• Molecular Formular: C12H12BrN3O
• Molecular Mass: 294.14718
• Monoisotopic Mass: 293.01637402
• SMILES: c1(c2c(ncn1)ccc(c2)Br)N1CCOCC1
• Canonical SMILES: Brc1ccc2c(c1)c(ncn2)N1CCOCC1
• InChI: InChI=1S/C12H12BrN3O/c13-9-1-2-11-10(7-9)12(15-8-14-11)16-3-5-17-6-4-16/h1-2,7-8H,3-6H2
• InChIKey: HQJHKFWXUFPBHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-4-(morpholin-4-yl)quinazoline
• IUPAC Traditional name: 6-bromo-4-(morpholin-4-yl)quinazoline
• Synonyms: 6-bromo-4-morpholin-4-ylquinazoline

Database IDs

• CAS Number: 307538-52-9
• MDL Number: MFCD00441044

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.6693938
• LogD (pH = 7.4): 2.677709
• Log P: 2.6778162
• Molar Refractivity: 70.2399 cm^3
• Polarizability: 27.25275 Å^3
• Polar Surface Area: 38.25 Å^2