6-Bromomethyl-3,4-dihydro-2-methyl-quinazolin-4-one

C₁₀H₉BrN₂OCAS 112888-43-4253.10 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₉BrN₂O
Molar mass: 253.10 g/mol
Exact mass: 251.9898 Da
logP: 2.13Crippen estimate
Polar surface area: 45.8 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Identifiers

CAS number

112888-43-4

SMILES

CC1=NC2=C(C=C(C=C2)CBr)C(=O)N1

InChIKey

YAHALGNQKDVJLJ-UHFFFAOYSA-N

InChI

InChI=1S/C10H9BrN2O/c1-6-12-9-3-2-7(5-11)4-8(9)10(14)13-6/h2-4H,5H2,1H3,(H,12,13,14)

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Names and synonyms

1 names

6-(Bromomethyl)-2-methyl-4(1H)-quinazolinone

Work with 6-Bromomethyl-3,4-dihydro-2-methyl-quinazolin-4-one

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-(Bromomethyl)-4-chloro-2-(trifluoromethyl)-quinoline123637-51-439 % similar 5-Chloro-2-methylbenzimidazole2818-69-135 % similar 6-Iodo-2-methyl-1H-benzimidazole2818-70-435 % similar 2-Methylbenzimidazole615-15-633 % similar 3-Methylbenzyl bromide620-13-333 % similar 4-Methylbenzyl bromide104-81-433 % similar 2,5,6-Trimethylbenzimidazole3363-56-232 % similar 1,3-Bis(bromomethyl)benzene626-15-331 % similar

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

Same formula

5-Bromo-1H-indole-3-acetamide196081-79-5

Elsewhere

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