N-(2-((3-Cyano-6-methylquinolin-2-yl)amino)ethyl)-2-methoxybenzamide
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Basic information
- CAS
606105-50-4- Standard SMILES
COc1ccccc1C(=O)NCCNc1nc2ccc(C)cc2cc1C#N- InChIKey
SCPUDQXWLQPGAY-UHFFFAOYSA-N- Molecular formula
- C21H20N4O2
- Average molar mass
- 360.4 g/mol
- Monoisotopic mass
- 360.15862589
Names & identifiers
- Preferred name
- N-(2-((3-Cyano-6-methylquinolin-2-yl)amino)ethyl)-2-methoxybenzamide
- IUPAC
- N-[2-[(3-cyano-6-methylquinolin-2-yl)amino]ethyl]-2-methoxybenzamide
- English name
- Benzamide, N-[2-[(3-cyano-6-methyl-2-quinolinyl)amino]ethyl]-2-methoxy- (9CI)
- Molecular formula
- C21H20N4O2
- Molecular weight
- 360.41
Names & synonyms
606105-50-4N-(2-((3-Cyano-6-methylquinolin-2-yl)amino)ethyl)-2-methoxybenzamideN-[2-[(3-cyano-6-methylquinolin-2-yl)amino]ethyl]-2-methoxybenzamideN-{2-[(3-CYANO-6-METHYLQUINOLIN-2-YL)AMINO]ETHYL}-2-METHOXYBENZAMIDEDTXSID90390442N-{2-[(3-Cyano-6-methyl-2-quinolinyl)amino]ethyl}-2-methoxybenzamideSR-01000341402SR-01000341402-1Benzamide, N-[2-[(3-cyano-6-methyl-2-quinolinyl)amino]ethyl]-2-methoxy-Benzamide, N-[2-[(3-cyano-6-methyl-2-quinolinyl)amino]ethyl]-2-methoxy- (9CI)
Database identifiers
- CAS
606105-50-4- PubChem CID
- 3217031
- DTXSID
DTXSID90390442
Properties
Computed structural propertiesFilling in
- 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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