Sct 1
Basic information
- CAS
23158-25-0- Standard SMILES
COc1cc2c(cc1OC)C1CC(=O)C(CCC#N)CN1CC2- InChIKey
QLSCNQCATINUIJ-UHFFFAOYSA-N- Molecular formula
- C18H22N2O3
- Average molar mass
- 314.4 g/mol
- Monoisotopic mass
- 314.16304257
Names & identifiers
- Preferred name
- Sct 1
- IUPAC
- 3-(9,10-dimethoxy-2-oxo-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-3-yl)propanenitrile
Names & synonyms
SCT-123158-25-0SCT 12H-Benzo(a)quinolizine-3-propionitrile, 1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2-oxo-1,3,4,6,7,11b-Hexahydro-9,10-dimethoxy-2-oxo-2H-benzo(a)quinolizine-3-propanenitrile2H-Benzo(a)quinolizine-3-propanenitrile, 1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2-oxo-RefChem:3800273-(9,10-dimethoxy-2-oxo-1,3,4,6,7,11b-hexahydro-2h-pyrido[2,1-a]isoquinolin-3-yl)propanenitrileSCHEMBL29397400DTXSID90945835
Database identifiers
- CAS
23158-25-0- PubChem CID
- 211458
- DTXSID
DTXSID90945835
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 486
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Related reactions
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Compound notes
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