Basic information
- Standard SMILES
CC(=O)C1=C(C)Nc2cc[nH]c(=O)c2C1c1ccc(C#N)c2ccccc12- InChIKey
GRBKKWWAHGGIQL-UHFFFAOYSA-N- Molecular formula
- C22H17N3O2
- Average molar mass
- 355.4 g/mol
Names & identifiers
- Preferred name
- 4-(3-Acetyl-2-methyl-5-oxo-1,4,5,6-tetrahydro-1,6-naphthyridin-4-yl)-1-naphthonitrile
- IUPAC
- 4-(3-acetyl-2-methyl-5-oxo-4,6-dihydro-1H-1,6-naphthyridin-4-yl)naphthalene-1-carbonitrile
Names & synonyms
SCHEMBL2466145GRBKKWWAHGGIQL-UHFFFAOYSA-N4-(3-Acetyl-2-methyl-5-oxo-1,4,5,6-tetrahydro-1,6-naphthyridin-4-yl)-1-naphthonitrile
Database identifiers
- PubChem CID
- 59603025
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 82 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 826
Related reactions
3 records
Compound notes
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