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2-Acetylamino-5-nitroquinoline (HCID 21948873)|Huagongshe
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Compound
2-Acetylamino-5-nitroquinoline
HCID
21948873
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Notes
Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
Substructure search
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Basic information
Standard SMILES
CC(=O)Nc1ccc2c([N+](=O)[O-])cccc2n1
InChIKey
FSQSHLHLFZKHLX-UHFFFAOYSA-N
Molecular formula
C11H9N3O3
Average molar mass
231.21 g/mol
Monoisotopic mass
231.06439116
Names & identifiers
Preferred name
2-Acetylamino-5-nitroquinoline
IUPAC
N-(5-nitroquinolin-2-yl)acetamide
Names & synonyms
2-Acetylamino-5-nitroquinoline
SCHEMBL4816783
FSQSHLHLFZKHLX-UHFFFAOYSA-N
Database identifiers
PubChem CID
21948873
Properties
Computed structural properties
XLogP
1.4
Topological polar surface area
87.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
17
Formal charge
0
Complexity
316
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Show all 8 / 8
Related reactions
8 records
New reaction record
All
As reactant
As product
As reagent
As catalyst
As solvent
HRID
832340
As product
Test data from https://doi.org/10.1039/C8SC04228D
HRID
1210032
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID
2054946
As product
uspto-grants-2008_02
HRID
2054947
As reactant
uspto-grants-2008_02
HRID
2182664
As product
uspto-grants-2005_05
HRID
2182665
As reactant
uspto-grants-2005_05
HRID
2215399
As product
uspto-grants-2006_09
HRID
2215400
As reactant
uspto-grants-2006_09
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Compound notes
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