6-methyl-N-(propan-2-yl)ergoline-8-carboxamide
Basic information
- CAS
50504-30-8- Standard SMILES
CC(C)NC(=O)C1CC2c3cccc4[nH]cc(c34)CC2N(C)C1- InChIKey
ZNYNLJUKJWWUBX-UHFFFAOYSA-N- Molecular formula
- C19H25N3O
- Average molar mass
- 311.4 g/mol
- Monoisotopic mass
- 311.19976243
Names & identifiers
- Preferred name
- 6-methyl-N-(propan-2-yl)ergoline-8-carboxamide
- IUPAC
- 7-methyl-N-propan-2-yl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Names & synonyms
50504-30-8NSC1694886-methyl-N-(propan-2-yl)ergoline-8-carboxamideDTXSID10305159NSC-169488
Database identifiers
- CAS
50504-30-8- PubChem CID
- 297952
- DTXSID
DTXSID10305159
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 48.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 466
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Compound notes
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