Basic information
- CAS
6432-52-6- Standard SMILES
Cc1nc2ccccc2cc1C(=O)Nc1ccccc1Cl- InChIKey
LHLOMIJABKAKQQ-UHFFFAOYSA-N- Molecular formula
- C17H13ClN2O
- Average molar mass
- 296.7 g/mol
- Monoisotopic mass
- 296.0716407
Names & identifiers
- Preferred name
- AF-399/42255561
- IUPAC
- N-(2-chlorophenyl)-2-methylquinoline-3-carboxamide
Names & synonyms
6432-52-6DTXSID50356726AF-399/42255561RefChem:317338DTXCID20307785N-(2-chlorophenyl)-2-methyl-3-quinolinecarboxamideN-(2-chlorophenyl)-2-methylquinoline-3-carboxamideMLS001010828CHEMBL1589259HMS2736P13AKOS002206602SMR000352967
Show more names
ST50142725N-(2-chlorophenyl)(2-methyl(3-quinolyl))carboxamideZ57001707
Database identifiers
- CAS
6432-52-6- PubChem CID
- 830452
- DTXSID
DTXSID50356726- ChEMBL
CHEMBL1589259
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 376
Experimental & physicochemical properties
Solubility6.7 [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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