N-benzyl-6-methylergoline-8-carboxamide
Basic information
- CAS
2312-50-7- Standard SMILES
CN1CC(C(=O)NCc2ccccc2)CC2c3cccc4[nH]cc(c34)CC21- InChIKey
DQTSDEYOCSXPHO-UHFFFAOYSA-N- Molecular formula
- C23H25N3O
- Average molar mass
- 359.5 g/mol
- Monoisotopic mass
- 359.19976243
Names & identifiers
- Preferred name
- N-benzyl-6-methylergoline-8-carboxamide
- IUPAC
- N-benzyl-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Names & synonyms
2312-50-7NSC173083N-benzyl-6-methylergoline-8-carboxamideDTXSID30305156NSC169482NSC-169482NSC-173083
Database identifiers
- CAS
2312-50-7- PubChem CID
- 297947
- DTXSID
DTXSID30305156
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 48.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 546
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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