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5-Chloro-8-(piperazin-1-yl)quinoline (HCID 58975503)|Huagongshe
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Compound
5-Chloro-8-(piperazin-1-yl)quinoline
HCID
58975503
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Notes
Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
Clc1ccc(N2CCNCC2)c2ncccc12
InChIKey
OJLJMQCYFKYVCL-UHFFFAOYSA-N
Molecular formula
C13H14ClN3
Average molar mass
247.72 g/mol
Names & identifiers
Preferred name
5-Chloro-8-(piperazin-1-yl)quinoline
IUPAC
5-chloro-8-piperazin-1-ylquinoline
Names & synonyms
5-chloro-8-(piperazin-1-yl)quinoline
SCHEMBL3559935
OJLJMQCYFKYVCL-UHFFFAOYSA-N
Database identifiers
PubChem CID
58975503
Properties
Computed structural properties
XLogP
2.7
Topological polar surface area
28.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
17
Formal charge
0
Complexity
255
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Related reactions
2 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
139682
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID
2241994
As reactant
uspto-grants-2010_03
Compound notes
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