dimethyl 2,3,4,6,7,12b-hexahydro-1H-[1,3]benzodioxolo[6,5-a]quinolizine-2,3-dicarboxylate
Basic information
- CAS
71622-26-9- Standard SMILES
COC(=O)C1CC2c3cc4c(cc3CCN2CC1C(=O)OC)OCO4- InChIKey
WTXXHQSSRNBQIB-UHFFFAOYSA-N- Molecular formula
- C18H21NO6
- Average molar mass
- 347.4 g/mol
- Monoisotopic mass
- 347.13688739
Names & identifiers
- Preferred name
- dimethyl 2,3,4,6,7,12b-hexahydro-1H-[1,3]benzodioxolo[6,5-a]quinolizine-2,3-dicarboxylate
- IUPAC
- dimethyl 2,3,4,6,7,12b-hexahydro-1H-[1,3]benzodioxolo[6,5-a]quinolizine-2,3-dicarboxylate
Names & synonyms
71622-26-9NSC305463dimethyl 2,3,4,6,7,12b-hexahydro-1H-[1,3]benzodioxolo[6,5-a]quinolizine-2,3-dicarboxylateDTXSID50316643NSC-305463Dimethyl 1,3,4,6,7,12b-hexahydro-2H,10H-[1,3]dioxolo[4,5-g]pyrido[2,1-a]isoquinoline-2,3-dicarboxylate
Database identifiers
- CAS
71622-26-9- PubChem CID
- 328039
- DTXSID
DTXSID50316643
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 74.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 540
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Related reactions
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Compound notes
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