chempirical

4-Chloro-6,7-dimethoxyquinoline

C11H10ClNO2CAS 35654-56-9223.66 g/mol

Open in Covalent MOL file
ONOCl
Aryl halideEther

Properties

Molecular formula
C11H10ClNO2
Molar mass
223.66 g/mol
Exact mass
223.0400 Da
logP
2.91Crippen estimate
Polar surface area
31.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 51 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
35654-56-9
SMILES
COC1=CC2=C(C=CN=C2C=C1OC)Cl
InChIKey
WRVHQEYBCDPZEU-UHFFFAOYSA-N
InChI
InChI=1S/C11H10ClNO2/c1-14-10-5-7-8(12)3-4-13-9(7)6-11(10)15-2/h3-6H,1-2H3

Weigh it out

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

Work with 4-Chloro-6,7-dimethoxyquinoline

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-methoxyquinolin-7-ol205448-31-375 % similar 7-Benzyloxy-4-chloro-6-methoxy-quinoline286371-49-171 % similar Methyl 4-chloro-7-methoxyquinoline-6-carboxylate205448-66-464 % similar 4-Chloro-7-methoxyquinoline-6-carboxamide417721-36-964 % similar 4-Chloro-7-methoxyquinoline68500-37-864 % similar 4-Chloro-6,7-dimethoxyquinazoline13790-39-154 % similar 4-[(6,7-Dimethoxyquinolin-4-yl)oxy]aniline190728-25-752 % similar 4-Chloro-6-methylquinoline18436-71-051 % similar

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

Same formula

6-Chloroindole-2-carboxylic acid ethyl ester27034-51-1 Ethyl 5-chloro-1H-indole-2-carboxylate4792-67-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook