Basic information
- Standard SMILES
CCCCN1Cc2cc(Nc3cnccc3-c3ccccc3)ccc2C1=O- InChIKey
MOTFLJMFPVMVKQ-UHFFFAOYSA-N- Molecular formula
- C23H23N3O
- Average molar mass
- 357.4 g/mol
Names & identifiers
- Preferred name
- 2-Butyl-5-(4-phenylpyridin-3-ylamino)isoindolin-1-one
- IUPAC
- 2-butyl-5-[(4-phenyl-3-pyridinyl)amino]-3H-isoindol-1-one
Names & synonyms
SCHEMBL2503427MOTFLJMFPVMVKQ-UHFFFAOYSA-N2-butyl-5-(4-phenylpyridin-3-ylamino)isoindolin-1-one
Database identifiers
- PubChem CID
- 53477129
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 45.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 490
Related reactions
2 records
Compound notes
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