chempirical

6-Bromo-2(1H)-quinazolinone

C8H5BrN2OCAS 79885-37-3225.04 g/mol

Open in Covalent MOL file
BrNONH
Aryl halide

Properties

Molecular formula
C8H5BrN2O
Molar mass
225.04 g/mol
Exact mass
223.9585 Da
logP
1.69Crippen estimate
Polar surface area
45.8 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
79885-37-3
SMILES
C1=CC2=C(C=C1Br)C=NC(=O)N2
InChIKey
HNUYWQSBQPNNOB-UHFFFAOYSA-N
InChI
InChI=1S/C8H5BrN2O/c9-6-1-2-7-5(3-6)4-10-8(12)11-7/h1-4H,(H,10,11,12)

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Names and synonyms

1 names
  • 6-Bromoquinazolin-2(1H)-one

Work with 6-Bromo-2(1H)-quinazolinone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

6-Bromo-2-quinazolinamine190273-89-361 % similar 6-Bromoquinolin-2(1H)-one1810-66-854 % similar 5-Bromo-1H-indazole53857-57-151 % similar 5-Bromo-2-methylindole1075-34-946 % similar 5-Bromo-1,3-dihydro-2H-benzimidazol-2-one39513-26-344 % similar 5-Bromo-1H-indole-2-carboxylic acid7254-19-543 % similar 5-Bromoindole10075-50-042 % similar 3,6-Dibromocarbazole6825-20-341 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxaldehyde1000340-35-1 7-Bromo-1H-quinazolin-4-one194851-16-6 6-Bromoquinazolin-4-ol32084-59-6 6-Bromo-2(1H)-quinoxalinone55687-34-8 5-Bromo-1,7-naphthyridin-8(7H)-one67967-14-0 6-Bromophthalazin-1(2H)-one75884-70-7 7-Bromo-1H-quinoxalin-2-one82031-32-1 6-Bromo-1H-indazole-3-carbaldehyde885271-72-7

Elsewhere

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