Basic information
- Standard SMILES
COc1cc(C#N)ccc1C1C(C#N)=C(C)Nc2cc(C)[nH]c(=O)c21- InChIKey
NBYORZNBBNXHJA-UHFFFAOYSA-N- Molecular formula
- C19H16N4O2
- Average molar mass
- 332.4 g/mol
Names & identifiers
- Preferred name
- 4-(4-Cyano-2-methoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carbonitrile
- IUPAC
- 4-(4-cyano-2-methoxyphenyl)-2,7-dimethyl-5-oxo-4,6-dihydro-1H-1,6-naphthyridine-3-carbonitrile
Names & synonyms
SCHEMBL2462241NBYORZNBBNXHJA-UHFFFAOYSA-N4-(4-Cyano-2-methoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carbonitrile
Database identifiers
- PubChem CID
- 67417449
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 97.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 802
Related reactions
3 records
Compound notes
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