Dimethyl 3-phenylpyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate
Basic information
- CAS
20958-77-4- Standard SMILES
COC(=O)c1c(C(=O)OC)c2c3ccccc3ccn2c1-c1ccccc1- InChIKey
DFUBRQBTJOVQFN-UHFFFAOYSA-N- Molecular formula
- C22H17NO4
- Average molar mass
- 359.4 g/mol
- Monoisotopic mass
- 359.11575802
Names & identifiers
- Preferred name
- Dimethyl 3-phenylpyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate
- IUPAC
- dimethyl 3-phenylpyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate
Names & synonyms
dimethyl 3-phenylpyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate20958-77-4NSC131494DTXSID20943248NSC-131494
Database identifiers
- CAS
20958-77-4- PubChem CID
- 280104
- DTXSID
DTXSID20943248- Nikkaji
- J1.921.201G
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 57 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 559
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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