Basic information
- CAS
756771-77-4- Standard SMILES
O=c1c2ccccc2ncn1CC[n+]1ccccc1- InChIKey
IDTGSDITMJCSRH-UHFFFAOYSA-N- Molecular formula
- C15H14N3O+
- Average molar mass
- 252.29 g/mol
- Monoisotopic mass
- 252.11368708
Names & identifiers
- Preferred name
- 1-[2-(4-Oxo-3(4H)-quinazolinyl)ethyl]pyridinium
- IUPAC
- 3-(2-pyridin-1-ium-1-ylethyl)quinazolin-4-one
Names & synonyms
1-[2-(4-Oxo-3(4H)-quinazolinyl)ethyl]pyridiniumDTXSID401244946756771-77-41-[2-(4-Oxoquinazolin-3(4H)-yl)ethyl]pyridin-1-ium
Database identifiers
- CAS
756771-77-4- PubChem CID
- 4157960
- DTXSID
DTXSID401244946
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 36.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 1
- Complexity
- 349
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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