1-(2-Bromo-4,5-dimethoxyphenyl)-8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2,3-dione
Basic information
- CAS
80041-82-3- Standard SMILES
COc1cc(Br)c(C2=C3c4cc(OC)c(OC)cc4CCN3C(=O)C2=O)cc1OC- InChIKey
QMZFKLSOJYNRSG-UHFFFAOYSA-N- Molecular formula
- C22H20BrNO6
- Average molar mass
- 474.3 g/mol
- Monoisotopic mass
- 473.0474
Names & identifiers
- Preferred name
- 1-(2-Bromo-4,5-dimethoxyphenyl)-8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2,3-dione
- IUPAC
- 1-(2-bromo-4,5-dimethoxyphenyl)-8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2,3-dione
Names & synonyms
80041-82-3NSC3615721-(2-bromo-4,5-dimethoxyphenyl)-8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2,3-dioneDTXSID50320568NSC-361572
Database identifiers
- CAS
80041-82-3- PubChem CID
- 338516
- DTXSID
DTXSID50320568
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 74.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 726
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Compound notes
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