2-Chloro-N-(2-((3-cyano-6-methylquinolin-2-yl)amino)ethyl)benzamide
Basic information
- CAS
606105-48-0- Standard SMILES
Cc1ccc2nc(NCCNC(=O)c3ccccc3Cl)c(C#N)cc2c1- InChIKey
PJHYYSQFEZYHGX-UHFFFAOYSA-N- Molecular formula
- C20H17ClN4O
- Average molar mass
- 364.8 g/mol
- Monoisotopic mass
- 364.1090889
Names & identifiers
- Preferred name
- 2-Chloro-N-(2-((3-cyano-6-methylquinolin-2-yl)amino)ethyl)benzamide
- IUPAC
- 2-chloro-N-[2-[(3-cyano-6-methylquinolin-2-yl)amino]ethyl]benzamide
- English name
- Benzamide, 2-chloro-N-[2-[(3-cyano-6-methyl-2-quinolinyl)amino]ethyl]- (9CI)
- Molecular formula
- C20H17ClN4O
- Molecular weight
- 364.83
Names & synonyms
606105-48-02-Chloro-N-(2-((3-cyano-6-methylquinolin-2-yl)amino)ethyl)benzamide2-chloro-N-[2-[(3-cyano-6-methylquinolin-2-yl)amino]ethyl]benzamide2-Chloro-N-{2-[(3-cyano-6-methylquinolin-2-yl)amino]ethyl}benzamideDTXSID30390441AKOS000765356BENZAMIDE, 2-CHLORO-N-[2-[(3-CYANO-6-METHYL-2-QUINOLINYL)AMINO]ETHYL]-DB-273636Benzamide, 2-chloro-N-[2-[(3-cyano-6-methyl-2-quinolinyl)amino]ethyl]- (9CI)
Database identifiers
- CAS
606105-48-0- PubChem CID
- 3217030
- DTXSID
DTXSID30390441
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 533
Physicochemical properties
- Boiling point
- 638.6 · 638.6±55.0 °C(Predicted)
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- pka
- 13.55 · 13.55±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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