Basic information
- CAS
5666-29-5- Standard SMILES
O=c1[nH]c(C=Cc2ccc([N+](=O)[O-])cc2)nc2ccccc12- InChIKey
ZRKBGTUWFGKHKQ-UHFFFAOYSA-N- Molecular formula
- C16H11N3O3
- Average molar mass
- 293.28 g/mol
- Monoisotopic mass
- 293.08004122
Names & identifiers
- Preferred name
- 2-[2-(4-nitrophenyl)ethenyl]-3H-quinazolin-4-one
- IUPAC
- 2-[2-(4-nitrophenyl)ethenyl]-3H-quinazolin-4-one
Names & synonyms
5666-29-5AC1MEYE4DTXSID603864332-[2-(4-Nitrophenyl)ethen-1-yl]quinazolin-4(1H)-one
Database identifiers
- CAS
5666-29-5- PubChem CID
- 135406830
- DTXSID
DTXSID60386433
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 87.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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