Basic information
- Standard SMILES
N#Cc1cc(C(=O)c2ccc(-n3cccn3)cc2)n2c1ccc1ccccc12- InChIKey
UPBYEJDMAIUODE-UHFFFAOYSA-N- Molecular formula
- C23H14N4O
- Average molar mass
- 362.4 g/mol
- Monoisotopic mass
- 362.11676108
Names & identifiers
- Preferred name
- 3-Cyano-1-(4-pyrazol-1-yl-benzoyl)-pyrrolo[1,2-a]quinoline
- IUPAC
- 1-(4-pyrazol-1-ylbenzoyl)pyrrolo[1,2-a]quinoline-3-carbonitrile
Names & synonyms
CHEMBL516823SCHEMBL5311356UPBYEJDMAIUODE-UHFFFAOYSA-N3-Cyano-1-(4-pyrazol-1-yl-benzoyl)-pyrrolo[1,2-a]quinoline
Database identifiers
- PubChem CID
- 21892147
- ChEMBL
CHEMBL516823
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 63.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 634
Related reactions
2 records
Compound notes
Loading…