2-Chloro-N-[2-(diethylamino)ethyl]-4-quinolinecarboxamide

C₁₆H₂₀ClN₃OCAS 87864-14-0305.81 g/mol

Open in Covalent MOL file

Amide Aryl halide Tertiary amine

Properties

Molecular formula: C₁₆H₂₀ClN₃O
Molar mass: 305.81 g/mol
Exact mass: 305.1295 Da
logP: 2.96Crippen estimate
Polar surface area: 45.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 6

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

87864-14-0

SMILES

CCN(CC)CCNC(=O)C1=CC(=NC2=CC=CC=C21)Cl

InChIKey

WZBLJANCSMJDSS-UHFFFAOYSA-N

InChI

InChI=1S/C16H20ClN3O/c1-3-20(4-2)10-9-18-16(21)13-11-15(17)19-14-8-6-5-7-12(13)14/h5-8,11H,3-4,9-10H2,1-2H3,(H,18,21)

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Names and synonyms

1 names

2-Chloro-N-(2-(diethylamino)ethyl)quinoline-4-carboxamide

Work with 2-Chloro-N-[2-(diethylamino)ethyl]-4-quinolinecarboxamide

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

2-Chloro-4-quinolinecarbonyl chloride2388-32-149 % similar 2-Chloro-4-quinolinecarboxylic acid5467-57-248 % similar Procainamide hydrochloride614-39-141 % similar 2-Chloro-4-methylquinoline634-47-939 % similar 2,4-Dichloroquinoline703-61-738 % similar Dibucaine85-79-037 % similar Dibucaine hydrochloride61-12-135 % similar 2-Methyl-quinoline-4-carboxylic acid634-38-835 % similar

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

Elsewhere

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