N-(2-((3-Cyano-8-methylquinolin-2-yl)amino)ethyl)-2-methoxybenzamide
Basic information
- CAS
606105-14-0- Standard SMILES
COc1ccccc1C(=O)NCCNc1nc2c(C)cccc2cc1C#N- InChIKey
HFOUTLADYWKQJV-UHFFFAOYSA-N- Molecular formula
- C21H20N4O2
- Average molar mass
- 360.4 g/mol
- Monoisotopic mass
- 360.15862589
Names & identifiers
- Preferred name
- N-(2-((3-Cyano-8-methylquinolin-2-yl)amino)ethyl)-2-methoxybenzamide
- IUPAC
- N-[2-[(3-cyano-8-methylquinolin-2-yl)amino]ethyl]-2-methoxybenzamide
- English name
- Benzamide, N-[2-[(3-cyano-8-methyl-2-quinolinyl)amino]ethyl]-2-methoxy- (9CI)
- Molecular formula
- C21H20N4O2
- Molecular weight
- 360.41
Names & synonyms
606105-14-0N-(2-((3-Cyano-8-methylquinolin-2-yl)amino)ethyl)-2-methoxybenzamideN-[2-[(3-cyano-8-methylquinolin-2-yl)amino]ethyl]-2-methoxybenzamideN-{2-[(3-Cyano-8-methylquinolin-2-yl)amino]ethyl}-2-methoxybenzamideDTXSID60390434N-{2-[(3-Cyano-8-methyl-2-quinolinyl)amino]ethyl}-2-methoxybenzamideSR-01000338843SR-01000338843-1Benzamide, N-[2-[(3-cyano-8-methyl-2-quinolinyl)amino]ethyl]-2-methoxy-Benzamide, N-[2-[(3-cyano-8-methyl-2-quinolinyl)amino]ethyl]-2-methoxy- (9CI)
Database identifiers
- CAS
606105-14-0- PubChem CID
- 3217017
- DTXSID
DTXSID60390434
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 546
Physicochemical properties
- Boiling point
- 646.4 · 646.4±55.0 °C(Predicted)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- pka
- 14.36 · 14.36±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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