4-Chloro-6,7-dimethoxyquinazoline

C₁₀H₉ClN₂O₂CAS 13790-39-1224.64 g/mol

Open in Covalent MOL file

Aryl halide Ether

Properties

Molecular formula: C₁₀H₉ClN₂O₂
Molar mass: 224.64 g/mol
Exact mass: 224.0353 Da
logP: 2.30Crippen estimate
Polar surface area: 44.2 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed11.1% of notifiers
H312 Harmful in contact with skin11.1% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled11.1% of notifiers
H335 May cause respiratory irritation88.9% of notifiers

Aggregated from 9 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

13790-39-1

SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)Cl)OC

InChIKey

LLLHRNQLGUOJHP-UHFFFAOYSA-N

InChI

InChI=1S/C10H9ClN2O2/c1-14-8-3-6-7(4-9(8)15-2)12-5-13-10(6)11/h3-5H,1-2H3

Weigh it out

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

Work with 4-Chloro-6,7-dimethoxyquinazoline

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-Acetoxy-4-chloro-7-methoxyquinazoline230955-75-672 % similar 7-(Benzyloxy)-4-chloro-6-methoxyquinazoline162364-72-968 % similar 4-Chloro-7-methoxy-6-nitroquinazoline55496-69-063 % similar 4-Chloro-6,7-bis(2-methoxyethoxy)quinazoline183322-18-163 % similar 4-Chloro-7-methoxyquinazoline55496-52-161 % similar 6,7-Dimethoxyquinazolin-4-amine21575-13-360 % similar 2,4-Dichloro-6,7-dimethoxyquinazoline27631-29-460 % similar 4-Chloro-6,7-dimethoxyquinoline35654-56-954 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-Chloro-2-ethylimidazo(1,2-a)pyridine-3-carboxylic acid1216142-18-5 3-(Chloromethyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole175205-61-5 2-Chloro-6,7-dimethoxyquinazoline94644-47-0

Elsewhere

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