8-Acetamido-6-chloro-5-nitroquinoline

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Basic information

Standard SMILES: CC(=O)Nc1cc(Cl)c([N+](=O)[O-])c2cccnc12
InChIKey: ZAGIYYLCWZAILF-UHFFFAOYSA-N
Molecular formula: C11H8ClN3O3
Average molar mass: 265.65 g/mol
Monoisotopic mass: 265.0254188

Names & identifiers

Preferred name: 8-Acetamido-6-chloro-5-nitroquinoline
IUPAC: N-(6-chloro-5-nitroquinolin-8-yl)acetamide

Names & synonyms

8-Acetamido-6-chloro-5-nitroquinolineN-(6-Chloro-5-nitro-8-quinolinyl)acetamideN-(6-chloro-5-nitroquinolin-8-yl)acetamideSCHEMBL8986411N-(6-chloro-5-nitro-8-quinolyl)acetamideN-(6-Chloro-5-nitro-8-quinolinyl)acetamide #N-(6-chloro-5-nitro-quinolin-8-yl)-acetamide

Database identifiers

PubChem CID: 459719
Nikkaji: J1.077.988J

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 87.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 18
Formal charge: 0
Complexity: 347

Related reactions

2 records

New reaction record

HRID 741575As reactantuspto-grants-1996_09

HRID 829207As reactantTest data from https://doi.org/10.1039/C8SC04228D

Compound notes

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