Basic information
- CAS
372094-13-8- Standard SMILES
O=C(Nc1cccc2ncccc12)c1cc([N+](=O)[O-])ccc1Cl- InChIKey
DWMHVXAMNPTZAD-UHFFFAOYSA-N- Molecular formula
- C16H10ClN3O3
- Average molar mass
- 327.72 g/mol
- Monoisotopic mass
- 327.0410689
Names & identifiers
- Preferred name
- 2-chloro-5-nitro-N-quinolin-5-ylbenzamide
- IUPAC
- 2-chloro-5-nitro-N-quinolin-5-ylbenzamide
Names & synonyms
2-chloro-5-nitro-N-quinolin-5-ylbenzamide372094-13-82-chloro-5-nitro-N-(quinolin-5-yl)benzamideMLS001165068SCHEMBL7130542CHEMBL1318905DTXSID701319710HMS2856J05AKOS003647041SMR000540347ST45098453(2-chloro-5-nitrophenyl)-N-(5-quinolyl)carboxamide
Database identifiers
- CAS
372094-13-8- PubChem CID
- 930280
- DTXSID
DTXSID701319710- ChEMBL
CHEMBL1318905
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 87.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 456
Experimental & physicochemical properties
Solubility3.2 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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