Ethyl 2-amino-3-benzoylpyrrolo[2,1-a]isoquinoline-1-carboxylate
Basic information
- CAS
73813-21-5- Standard SMILES
CCOC(=O)c1c(N)c(C(=O)c2ccccc2)n2ccc3ccccc3c12- InChIKey
NAXHRLHCHJABOL-UHFFFAOYSA-N- Molecular formula
- C22H18N2O3
- Average molar mass
- 358.4 g/mol
- Monoisotopic mass
- 358.13174244
Names & identifiers
- Preferred name
- Ethyl 2-amino-3-benzoylpyrrolo[2,1-a]isoquinoline-1-carboxylate
- IUPAC
- ethyl 2-amino-3-benzoylpyrrolo[2,1-a]isoquinoline-1-carboxylate
Names & synonyms
73813-21-5NSC364302ethyl 2-amino-3-benzoylpyrrolo[2,1-a]isoquinoline-1-carboxylateDTXSID90320784NSC-364302
Database identifiers
- CAS
73813-21-5- PubChem CID
- 339157
- DTXSID
DTXSID90320784
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 73.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 560
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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