Basic information
- Standard SMILES
CC(=O)C1=C(C)Nc2cc[nH]c(=O)c2C1c1ccc(C#N)cc1C- InChIKey
SKBQDJFVDATULM-UHFFFAOYSA-N- Molecular formula
- C19H17N3O2
- Average molar mass
- 319.4 g/mol
Names & identifiers
- Preferred name
- 4-(3-Acetyl-2-methyl-5-oxo-1,4,5,6-tetrahydro-1,6-naphthyridin-4-yl)-3-methylbenzonitrile
- IUPAC
- 4-(3-acetyl-2-methyl-5-oxo-4,6-dihydro-1H-1,6-naphthyridin-4-yl)-3-methylbenzonitrile
Names & synonyms
SCHEMBL2460135SKBQDJFVDATULM-UHFFFAOYSA-N4-(3-Acetyl-2-methyl-5-oxo-1,4,5,6-tetrahydro-1,6-naphthyridin-4-yl)-3-methylbenzonitrile
Database identifiers
- PubChem CID
- 59603034
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 82 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 735
Related reactions
3 records
Compound notes
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