Basic information
- CAS
71266-78-9- Standard SMILES
CCC1(CC)c2c(ccc(OC)c2OC)C=C2c3cc4c(cc3CCN21)OCO4- InChIKey
SYFIMBLBFVCFAG-UHFFFAOYSA-N- Molecular formula
- C24H27NO4
- Average molar mass
- 393.5 g/mol
- Monoisotopic mass
- 393.19400834
Names & identifiers
- Preferred name
- 8,8-diethyl 9,10-dimethoxy-5,8-dihydro-6H-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinoline
- IUPAC
- 14,14-diethyl-16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(21),2,4(8),9,15(20),16,18-heptaene
Names & synonyms
71266-78-98,8-diethyl 9,10-dimethoxy-5,8-dihydro-6H-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinolineSCHEMBL297704DTXSID90316647SYFIMBLBFVCFAG-UHFFFAOYSA-NNSC305468NSC-3054688,8-Diethyl-9,10-dimethoxy-5,8-dihydro-2H,6H-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinoline
Database identifiers
- CAS
71266-78-9- PubChem CID
- 328044
- DTXSID
DTXSID90316647
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 40.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 632
Related reactions
1 records
Compound notes
Loading…