Basic information
- Standard SMILES
COc1cc[nH]c1C=C1C(=O)Nc2cccc(C#Cc3ccccn3)c21- InChIKey
SOQYSQMXYLSISO-UHFFFAOYSA-N- Molecular formula
- C21H15N3O2
- Average molar mass
- 341.4 g/mol
- Monoisotopic mass
- 341.11642673
Names & identifiers
- Preferred name
- 3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-4-(2-pyridin-2-ylethynyl)-1H-indol-2-one
- IUPAC
- 3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-4-(2-pyridin-2-ylethynyl)-1H-indol-2-one
Names & synonyms
SCHEMBL6962315
Database identifiers
- PubChem CID
- 54316640
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 67 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 632
Related reactions
1 records
Compound notes
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