2-Methyl-4H-3,1-benzoxazin-4-one

C₉H₇NO₂CAS 525-76-8161.16 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₇NO₂
Molar mass: 161.16 g/mol
Exact mass: 161.0477 Da
Melting point: 77–80 °C
Boiling point: 144–145 °C (at 12 Torr)
logP: 1.50Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0

Identifiers

CAS number

525-76-8

SMILES

Cc1nc2ccccc2c(=O)o1

InChIKey

WMQSKECCMQRJRX-UHFFFAOYSA-N

InChI

InChI=1S/C9H7NO2/c1-6-10-8-5-3-2-4-7(8)9(11)12-6/h2-5H,1H3

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Type any one amount. The others follow from the molar mass.

Names and synonyms

13 names · show all

4H-3,1-Benzoxazin-4-one, 2-methyl-
2-Methyl-3,1-benzoxazin-4-one
2-Methyl-3,1-benzoxaza-4-one
Acetanthranil
Acetylanthranyl
2-Methyl-4-oxo-4H-3,1-benzoxazine
Acetylanthranil
2-Methyl-3,1-benzoxazine-4-one
2-Methyl-4-oxo-3,1-benzoxazine
NSC 10119
NSC 521353
2-Methylbenzo[1,3]oxazin-4-one
2-Methyl-4H-benzo[d][1,3]oxazin-4-one

Work with 2-Methyl-4H-3,1-benzoxazin-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

Uv 363818600-59-459 % similar 2-Methylbenzoxazole95-21-653 % similar 9-Methylacridine611-64-348 % similar Diphenic anhydride6050-13-147 % similar 2-Methylnaphth[2,3-D]oxazole20686-66-243 % similar 2-Methylnaphth[1,2-D]oxazole85-15-441 % similar 2-Methyl-5-phenylbenzoxazole61931-68-840 % similar N-Methylisatoic anhydride10328-92-439 % similar

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

Same formula

3-Phenyl-5(4H)-isoxazolone1076-59-1 8-Hydroxyquinoline N-oxide1127-45-3 7-Methylisatin1127-59-9 Methyl 4-cyanobenzoate1129-35-7 Methyl m-cyanobenzoate13531-48-1 Indole-2-carboxylic acid1477-50-5 8-Hydroxy-1H-quinolin-2-one15450-76-7 3-Aminocoumarin1635-31-0

Elsewhere

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