6-Acetoxy-7-methoxy-3H-quinazolin-4-one

C₁₁H₁₀N₂O₄CAS 179688-53-0234.21 g/mol

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Properties

Molecular formula: C₁₁H₁₀N₂O₄
Molar mass: 234.21 g/mol
Exact mass: 234.0641 Da
logP: 0.86Crippen estimate
Polar surface area: 81.3 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 2

Identifiers

CAS number

179688-53-0

SMILES

CC(=O)OC1=C(C=C2C(=C1)C(=O)NC=N2)OC

InChIKey

SOLQIFINSOHAQD-UHFFFAOYSA-N

InChI

InChI=1S/C11H10N2O4/c1-6(14)17-10-3-7-8(4-9(10)16-2)12-5-13-11(7)15/h3-5H,1-2H3,(H,12,13,15)

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Names and synonyms

1 names

3,4-Dihydro-7-methoxy-4-oxoquinazolin-6-yl acetate

Work with 6-Acetoxy-7-methoxy-3H-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

Acetovanillin881-68-540 % similar Acetylisoeugenol93-29-840 % similar Acetyleugenol93-28-738 % similar 4-Acetoxy-3,5-dimethoxybenzaldehyde53669-33-337 % similar 3-[4-(Acetyloxy)-3-methoxyphenyl]-2-propenoic acid2596-47-636 % similar 4-Chloro-6,7-dimethoxyquinazoline13790-39-136 % similar 1,2,4-Triacetoxybenzene613-03-635 % similar 6,7-Dimethoxy-4-hydroxyquinoline13425-93-935 % similar

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

Same formula

Ethyl 5-nitroindole-2-carboxylate16732-57-3 Ethyl 7-nitroindole-2-carboxylate6960-46-9

Elsewhere

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