9-Bromo-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinoline

C₁₂H₁₄BrNCAS 70173-54-5252.15 g/mol

Open in Covalent MOL file

Aryl halide Tertiary amine

Properties

Molecular formula: C₁₂H₁₄BrN
Molar mass: 252.15 g/mol
Exact mass: 251.0310 Da
logP: 3.15Crippen estimate
Polar surface area: 3.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

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

70173-54-5

SMILES

C1CC2=CC(=CC3=C2N(C1)CCC3)Br

InChIKey

PVTRKHJBWSTNOI-UHFFFAOYSA-N

InChI

InChI=1S/C12H14BrN/c13-11-7-9-3-1-5-14-6-2-4-10(8-11)12(9)14/h7-8H,1-6H2

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Names and synonyms

1 names

4-Bromo-julolidine

Work with 9-Bromo-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinoline

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

Julolidine479-59-454 % similar 3-Bromobicyclo[4.2.0]octa-1,3,5-triene1073-39-841 % similar 8-Hydroxyjulolidine41175-50-240 % similar 8-Hydroxyjulolidine-9-carboxaldehyde63149-33-739 % similar 2,3,6,7,10,11-Hexahydro-1H,5H-cyclopenta[3,4][1]benzopyrano[6,7,8-ij]quinolizin-12(9H)-one41175-45-538 % similar 7-Bromo-1,2,3,4-tetrahydroquinoline114744-51-337 % similar 7-Bromo-1,2,3,4-tetrahydroisoquinoline17680-55-637 % similar 6-Bromo-1,2,3,4-tetrahydroquinoline22190-35-837 % similar

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

Elsewhere

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