Basic information
- CAS
78898-98-3- Standard SMILES
COc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc([N+](=O)[O-])cn2)cc1- InChIKey
XWNNUPHITCRKPJ-XYOKQWHBSA-N- Molecular formula
- C22H16N4O4
- Average molar mass
- 400.4 g/mol
- Monoisotopic mass
- 400.117155
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 3-(5-nitro-2-pyridyl)-2-(p-methoxystyryl)-
- IUPAC
- 2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(5-nitro-2-pyridinyl)quinazolin-4-one
Names & synonyms
4(3H)-Quinazolinone, 3-(5-nitro-2-pyridyl)-2-(p-methoxystyryl)-78898-98-3RefChem:10691633-(5-Nitro-2-pyridyl)-2-(p-methoxystyryl)-4(3H)-quinazolinone4(3H)-Quinazolinone, 2-(2-(4-methoxyphenyl)ethenyl)-3-(5-nitro-2-pyridinyl)-
Database identifiers
- CAS
78898-98-3- PubChem CID
- 6435948
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 696
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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