7-(Benzyloxy)-4-chloro-6-methoxyquinazoline

C16H13ClN2O2CAS 162364-72-9300.74 g/mol

Open in Covalent MOL file
ONNClO
Aryl halideEther

Properties

Molecular formula
C16H13ClN2O2
Molar mass
300.74 g/mol
Exact mass
300.0666 Da
logP
3.87Crippen estimate
Polar surface area
44.2 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 3 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
162364-72-9
SMILES
COC1=C(C=C2C(=C1)C(=NC=N2)Cl)OCC3=CC=CC=C3
InChIKey
LBGIYCBNJBHZSZ-UHFFFAOYSA-N
InChI
InChI=1S/C16H13ClN2O2/c1-20-14-7-12-13(18-10-19-16(12)17)8-15(14)21-9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3

Weigh it out

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

Names and synonyms

1 names
  • 7-Benzyloxy-4-chloro-6-methoxyquinazoline

Work with 7-(Benzyloxy)-4-chloro-6-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-dimethoxyquinazoline13790-39-168 % similar 7-Benzyloxy-4-chloro-6-methoxy-quinoline286371-49-167 % similar 7-Benzyloxy-6-methoxy-3H-quinazolin-4-one179688-01-858 % similar 4-Chloro-6,7-bis(2-methoxyethoxy)quinazoline183322-18-156 % similar 6-Acetoxy-4-chloro-7-methoxyquinazoline230955-75-654 % similar 4-Chloro-7-methoxy-6-nitroquinazoline55496-69-048 % similar 4-Chloro-7-methoxyquinazoline55496-52-148 % similar 7-(Benzyloxy)-6-methoxyquinolin-4-ol205448-29-946 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Clobazam22316-47-8 Temazepam846-50-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook