Basic information
- CAS
444078-38-0- Standard SMILES
Cc1cccc(NC(=O)c2cc(Cl)nc3ccccc23)n1- InChIKey
CYBPDEKRJMSSCD-UHFFFAOYSA-N- Molecular formula
- C16H12ClN3O
- Average molar mass
- 297.74 g/mol
- Monoisotopic mass
- 297.0668897
Names & identifiers
- Preferred name
- 2-chloro-N-(6-methylpyridin-2-yl)quinoline-4-carboxamide
- IUPAC
- 2-chloro-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide
Names & synonyms
2-chloro-N-(6-methylpyridin-2-yl)quinoline-4-carboxamide444078-38-0MLS000767960CHEMBL1549125DTXSID401329948HMS2808I20STL300983AKOS008979883SMR0004312822-Chloro-quinoline-4-carboxylic acid (6-methyl-pyridin-2-yl)-amide
Database identifiers
- CAS
444078-38-0- PubChem CID
- 949092
- DTXSID
DTXSID401329948- ChEMBL
CHEMBL1549125
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 54.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 379
Experimental & physicochemical properties
Solubility19.9 [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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