6-Acetoxy-4-chloro-7-methoxyquinazoline

C11H9ClN2O3CAS 230955-75-6252.65 g/mol

Open in Covalent MOL file
OONNClO
Aryl halideEsterEther

Properties

Molecular formula
C11H9ClN2O3
Molar mass
252.65 g/mol
Exact mass
252.0302 Da
logP
2.22Crippen estimate
Polar surface area
61.3 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
230955-75-6
SMILES
CC(=O)OC1=C(C=C2C(=C1)C(=NC=N2)Cl)OC
InChIKey
VWBHHSJRPOSFGG-UHFFFAOYSA-N
InChI
InChI=1S/C11H9ClN2O3/c1-6(15)17-10-3-7-8(4-9(10)16-2)13-5-14-11(7)12/h3-5H,1-2H3

Weigh it out

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Names and synonyms

1 names
  • 4-Chloro-7-methoxyquinazolin-6-yl acetate

Work with 6-Acetoxy-4-chloro-7-methoxyquinazoline

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

4-Chloro-6,7-dimethoxyquinazoline13790-39-172 % similar 6-Acetoxy-7-methoxy-3H-quinazolin-4-one179688-53-058 % similar 4-Chloro-7-methoxy-6-nitroquinazoline55496-69-056 % similar 7-(Benzyloxy)-4-chloro-6-methoxyquinazoline162364-72-954 % similar 4-Chloro-6,7-bis(2-methoxyethoxy)quinazoline183322-18-149 % similar 4-Chloro-7-methoxyquinazoline55496-52-147 % similar 6,7-Dimethoxyquinazolin-4-amine21575-13-346 % similar 2,4-Dichloro-6,7-dimethoxyquinazoline27631-29-446 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Chloro-5,6-dihydro-1-(4-nitrophenyl)-2(1H)-pyridinone536760-29-9

Elsewhere

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