Ethyl 4-chloro-3-quinolinecarboxylate

C₁₂H₁₀ClNO₂CAS 13720-94-0235.67 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₁₂H₁₀ClNO₂
Molar mass: 235.67 g/mol
Exact mass: 235.0400 Da
logP: 3.06Crippen estimate
Polar surface area: 39.2 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation97.5% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation95% of notifiers

Aggregated from 40 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

13720-94-0

SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1)Cl

InChIKey

DWXQUAHMZWZXHP-UHFFFAOYSA-N

InChI

InChI=1S/C12H10ClNO2/c1-2-16-12(15)9-7-14-10-6-4-3-5-8(10)11(9)13/h3-7H,2H2,1H3

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Names and synonyms

1 names

Ethyl 4-Chloroquinoline-3-carboxylate

Work with Ethyl 4-chloro-3-quinolinecarboxylate

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

Ethyl 1-naphthalenecarboxylate3007-97-455 % similar Diethyl phthalate84-66-253 % similar Ethyl o-chlorobenzoate7335-25-352 % similar Ethyl chloronicotinate1452-94-451 % similar Ethyl 2,4-dichloro-5-pyrimidinecarboxylate51940-64-851 % similar Ethyl 2-chloro-4-methylpyrimidine-5-carboxylate188781-08-050 % similar Ethyl 4,6-dichloropyridine-3-carboxylate40296-46-650 % similar Ethyl 4-chloro-2-methylpyrimidine-5-carboxylate2134-36-349 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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