chempirical

6-Bromo-2,4(1H,3H)-quinazolinedione

C8H5BrN2O2CAS 88145-89-5241.04 g/mol

Open in Covalent MOL file
BrONHONH
Aryl halide

Properties

Molecular formula
C8H5BrN2O2
Molar mass
241.04 g/mol
Exact mass
239.9534 Da
logP
0.98Crippen estimate
Polar surface area
65.7 Ų
H-bond donors / acceptors
2 / 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
88145-89-5
SMILES
C1=CC2=C(C=C1Br)C(=O)NC(=O)N2
InChIKey
JZDVFUAHGLJVQG-UHFFFAOYSA-N
InChI
InChI=1S/C8H5BrN2O2/c9-4-1-2-6-5(3-4)7(12)11-8(13)10-6/h1-3H,(H2,10,11,12,13)

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Work with 6-Bromo-2,4(1H,3H)-quinazolinedione

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

5-Bromo-1,3-dihydro-2H-benzimidazol-2-one39513-26-365 % similar 3,6-Dibromocarbazole6825-20-357 % similar 5-Bromoisatoic anhydride4692-98-249 % similar 6-Bromo-4-hydroxyquinolin-2(1H)-one54675-23-949 % similar 3-Bromocarbazole1592-95-649 % similar 6-Bromoquinolin-2(1H)-one1810-66-847 % similar 6-Bromo-1H-indazol-3-ol885521-92-647 % similar 6-Bromo-4-hydroxyquinoline145369-94-445 % similar

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

Same formula

5-Bromo-1H-indazole-3-carboxylic acid1077-94-7 4-Benzyl-10,19-diethyl-4,10,19-triaza-1,7,13,16-tetraoxacycloheneicosane397864-11-8 6-Bromo-1H-indazole-3-carboxylic acid660823-36-9 6-Bromoimidazo(1,2-a)pyridine-2-carboxylic acid749849-14-7 5-Bromo-1H-pyrrolo[2,3-B]pyridine-3-carboxylic acid849068-61-7 6-Bromoh-pyrazolo[1,5-A]pyridine-2-carboxylic acid876379-74-7 4-Bromo-1H-indazole-3-carboxylic acid885521-80-2 4-Bromo-1H-indazole-6-carboxylic acid885523-43-3

Elsewhere

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