Ethyl 2-(quinolin-6-yl)acetate

C₁₃H₁₃NO₂CAS 5622-38-8215.25 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₃H₁₃NO₂
Molar mass: 215.25 g/mol
Exact mass: 215.0946 Da
logP: 2.34Crippen estimate
Polar surface area: 39.2 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

5622-38-8

SMILES

CCOC(=O)CC1=CC2=C(C=C1)N=CC=C2

InChIKey

GPBLWJQFTVDYFO-UHFFFAOYSA-N

InChI

InChI=1S/C13H13NO2/c1-2-16-13(15)9-10-5-6-12-11(8-10)4-3-7-14-12/h3-8H,2,9H2,1H3

Weigh it out

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Work with Ethyl 2-(quinolin-6-yl)acetate

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

Methyl 6-quinolineacetate5622-36-672 % similar Ethyl 3-pyridineacetate39931-77-656 % similar Ethyl 4-pyridineacetate54401-85-353 % similar Ethyl 2-pyridylacetate2739-98-253 % similar Ethyl phenylacetate101-97-352 % similar Ethyl 3,4-dimethoxybenzeneacetate18066-68-751 % similar Ethyl p-tolylacetate14062-19-250 % similar Ethyl 3-methoxybenzeneacetate35553-92-550 % similar

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

Same formula

Alpha-Amino-2-naphthalenepropanoic acid14108-60-2 4-(2,5-Dimethyl-1H-pyrrol-1-yl)benzoic acid15898-26-7 Dl-3-(1-naphthyl)alanine28095-56-9 L-1-Naphthylalanine55516-54-6 2-Naphthylalanine58438-03-2 D-3-(2-Naphthyl)alanine76985-09-6 D-1-Naphthylalanine78306-92-0 Ethyl2-methylquinoline-6-carboxylate855763-77-8

Elsewhere

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