Basic information
- CAS
1005261-85-7- Standard SMILES
COCCOC(=O)C(C#N)c1nc2ccccc2nc1N1CC(C)CC(C)C1- InChIKey
MAZVPMCHVDAIRN-UHFFFAOYSA-N- Molecular formula
- C21H26N4O3
- Average molar mass
- 382.5 g/mol
- Monoisotopic mass
- 382.2004907
Names & identifiers
- Preferred name
- 2-Methoxyethyl cyano[3-(3,5-dimethylpiperidin-1-yl)quinoxalin-2-yl]acetate
- IUPAC
- 2-methoxyethyl 2-cyano-2-[3-(3,5-dimethylpiperidin-1-yl)quinoxalin-2-yl]acetate
Names & synonyms
2-methoxyethyl cyano[3-(3,5-dimethylpiperidin-1-yl)quinoxalin-2-yl]acetate1005261-85-7DTXSID001144714STK600601AKOS0055372912-methoxyethyl 2-cyano-2-(3-((3S,5S)-3,5-dimethylpiperidin-1-yl)quinoxalin-2-yl)acetate2-Methoxyethyl I+/--cyano-3-(3,5-dimethyl-1-piperidinyl)-2-quinoxalineacetate
Database identifiers
- CAS
1005261-85-7- PubChem CID
- 5113022
- DTXSID
DTXSID001144714
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 88.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 567
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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