6-Bromo-1,2,3,4-tetrahydro-quinoline-2-carboxylic acid methyl ester

C₁₁H₁₂BrNO₂CAS 511230-72-1270.13 g/mol

Open in Covalent MOL file

Aryl halide Ester Secondary amine

Properties

Molecular formula: C₁₁H₁₂BrNO₂
Molar mass: 270.13 g/mol
Exact mass: 269.0051 Da
logP: 2.35Crippen estimate
Polar surface area: 38.3 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

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

511230-72-1

SMILES

COC(=O)C1CCC2=C(N1)C=CC(=C2)Br

InChIKey

AUAAQBWEOAMYGG-UHFFFAOYSA-N

InChI

InChI=1S/C11H12BrNO2/c1-15-11(14)10-4-2-7-6-8(12)3-5-9(7)13-10/h3,5-6,10,13H,2,4H2,1H3

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Work with 6-Bromo-1,2,3,4-tetrahydro-quinoline-2-carboxylic acid methyl ester

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

(S)-1,2,3,4-Tetrahydro-quinoline-2-carboxylic acid methyl ester63492-82-065 % similar 6-Bromo-3,4-dihydro-1H-quinolin-2-one3279-90-145 % similar Methyl 4-bromo-2-(bromomethyl)benzoate78471-43-942 % similar 5-Bromoindoline22190-33-641 % similar 6-Bromo-1,4-dihydro-2H-3,1-benzoxazin-2-one1017783-09-341 % similar 5-Bromo-2-oxindole20870-78-440 % similar 6-Bromo-1,2,3,4-tetrahydroquinoline22190-35-840 % similar Methyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate57060-86-340 % similar

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

Elsewhere

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