Methyl 6-quinolineacetate

C₁₂H₁₁NO₂CAS 5622-36-6201.23 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₁₁NO₂
Molar mass: 201.23 g/mol
Exact mass: 201.0790 Da
logP: 1.95Crippen estimate
Polar surface area: 39.2 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

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

5622-36-6

SMILES

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

InChIKey

PCUOFKCRVNHDEB-UHFFFAOYSA-N

InChI

InChI=1S/C12H11NO2/c1-15-12(14)8-9-4-5-11-10(7-9)3-2-6-13-11/h2-7H,8H2,1H3

Weigh it out

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

Work with Methyl 6-quinolineacetate

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 2-(quinolin-6-yl)acetate5622-38-872 % similar Methyl 6-quinolinecarboxylate38896-30-957 % similar Methyl 4-pyridineacetate29800-89-351 % similar Methyl 2-pyridineacetate1658-42-051 % similar 6-Quinolinemethanol100516-88-950 % similar Methyl phenylacetate101-41-750 % similar Methyl 3-fluorophenylacetate64123-77-950 % similar Methyl 2-(3,4-dichlorophenyl)acetate6725-44-650 % similar

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

Same formula

N-(2,4-Xylyl)maleimide1080-52-0 1,1′-(1H-Indole-1,3-diyl)bis[ethanone]17537-64-3 4-(Benzyloxy)pyridine N-oxide2683-66-1 4-Benzyloxy-2(1H)-pyridone53937-02-3 Carbaryl63-25-2 N-(7-Hydroxy-1-naphthalenyl)acetamide6470-18-4 6-(Benzyloxy)pyridin-3-ol725256-57-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook