Basic information
- CAS
73342-54-8- Standard SMILES
O=c1c2ccccc2nc(COc2ccc([N+](=O)[O-])cc2)n1-c1ccccn1- InChIKey
NGBLLQIBGMTADF-UHFFFAOYSA-N- Molecular formula
- C20H14N4O4
- Average molar mass
- 374.3 g/mol
- Monoisotopic mass
- 374.10150494
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 2-((4-nitrophenoxy)methyl)-3-(2-pyridinyl)-
- IUPAC
- 2-[(4-nitrophenoxy)methyl]-3-pyridin-2-ylquinazolin-4-one
Names & synonyms
4(3H)-Quinazolinone, 2-((4-nitrophenoxy)methyl)-3-(2-pyridinyl)-73342-54-8BRN 07171272-((4-Nitrophenoxy)methyl)-3-(2-pyridinyl)-4(3H)-quinazolinoneDTXSID802235732-[(4-Nitrophenoxy)methyl]-3-(pyridin-2-yl)quinazolin-4(3H)-one
Database identifiers
- CAS
73342-54-8- PubChem CID
- 63274
- DTXSID
DTXSID80223573
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 612
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…