Basic information
- Standard SMILES
Cc1cc2ccccc2n2c(C(=O)c3ccccc3)cc(C#N)c12- InChIKey
PSBYJXYGFXUFNJ-UHFFFAOYSA-N- Molecular formula
- C21H14N2O
- Average molar mass
- 310.3 g/mol
Names & identifiers
- Preferred name
- 1-Benzoyl-3-cyano-4-methyl-pyrrolo[1,2-a]quinoline
- IUPAC
- 1-benzoyl-4-methylpyrrolo[1,2-a]quinoline-3-carbonitrile
Names & synonyms
CHEMBL498027SCHEMBL5959188PSBYJXYGFXUFNJ-UHFFFAOYSA-N1-Benzoyl-3-cyano-4-methyl-pyrrolo[1,2-a]quinoline
Database identifiers
- PubChem CID
- 10425501
- ChEMBL
CHEMBL498027
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 45.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 529
Related reactions
1 records
Compound notes
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