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Compound
2-[1-(2,8-Dichloroquinolin-3-yl)ethyl]isoindole-1,3-dione
HCID
57707992
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Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
CC(c1cc2cccc(Cl)c2nc1Cl)N1C(=O)c2ccccc2C1=O
InChIKey
ZBWBRIYCGGIASS-UHFFFAOYSA-N
Molecular formula
C19H12Cl2N2O2
Average molar mass
371.2 g/mol
Names & identifiers
Preferred name
2-[1-(2,8-Dichloroquinolin-3-yl)ethyl]isoindole-1,3-dione
IUPAC
2-[1-(2,8-dichloroquinolin-3-yl)ethyl]isoindole-1,3-dione
Names & synonyms
SCHEMBL4173841
DS-022138
1466566-28-8
Database identifiers
PubChem CID
57707992
Properties
Computed structural properties
XLogP
4.7
Topological polar surface area
50.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
25
Formal charge
0
Complexity
534
Show all 8
Show all 8 / 8
Related reactions
6 records
New reaction record
All
As reactant
As product
As reagent
As catalyst
As solvent
HRID
116194
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID
666438
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID
833743
As reactant
Test data from https://doi.org/10.1039/C8SC04228D
HRID
934193
As reactant
Validation data from https://doi.org/10.1039/C8SC04228D
HRID
2142394
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
HRID
2151756
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
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Compound notes
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2-[1-(2,8-Dichloroquinolin-3-yl)ethyl]isoindole-1,3-dione (HCID 57707992)|Huagongshe