Methyl 4-chloro-7-methoxyquinoline-6-carboxylate

C12H10ClNO3CAS 205448-66-4251.67 g/mol

Open in Covalent MOL file
ONOOCl
Aryl halideEsterEther

Properties

Molecular formula
C12H10ClNO3
Molar mass
251.67 g/mol
Exact mass
251.0349 Da
logP
2.68Crippen estimate
Polar surface area
48.4 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

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

Identifiers

CAS number
205448-66-4
SMILES
COC1=CC2=NC=CC(=C2C=C1C(=O)OC)Cl
InChIKey
DDDSGYZATMCUDW-UHFFFAOYSA-N
InChI
InChI=1S/C12H10ClNO3/c1-16-11-6-10-7(9(13)3-4-14-10)5-8(11)12(15)17-2/h3-6H,1-2H3

Weigh it out

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

Work with Methyl 4-chloro-7-methoxyquinoline-6-carboxylate

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-7-methoxyquinoline-6-carboxamide417721-36-970 % similar 4-Chloro-6,7-dimethoxyquinoline35654-56-964 % similar 4-Chloro-6-methoxyquinolin-7-ol205448-31-354 % similar Methyl 5-chloro-2-methoxybenzoate33924-48-051 % similar 7-Benzyloxy-4-chloro-6-methoxy-quinoline286371-49-150 % similar 4-(4-Amino-3-chlorophenoxy)-7-methoxy-6-quinolinecarboxamide417722-93-149 % similar 4-Chloro-7-methoxyquinoline68500-37-849 % similar Methyl 4-acetamido-5-chloro-2-methoxybenzoate4093-31-648 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook