Basic information
- CAS
36933-79-6- Standard SMILES
Cc1nc2ccc(I)cc2c(=O)n1-c1ccc(N=Cc2cccc([N+](=O)[O-])c2O)cc1- InChIKey
GMKQRLOFKBXXKV-UHFFFAOYSA-N- Molecular formula
- C22H15IN4O4
- Average molar mass
- 526.3 g/mol
- Monoisotopic mass
- 526.0138
Names & identifiers
- Preferred name
- 3-(4-(((2-Hydroxy-3-nitrophenyl)methylene)amino)phenyl)-6-iodo-2-methyl-4(3H)-quinazolinone
- IUPAC
- 3-[4-[(2-hydroxy-3-nitrophenyl)methylideneamino]phenyl]-6-iodo-2-methylquinazolin-4-one
Names & synonyms
BRN 08638413-(4-(((2-Hydroxy-3-nitrophenyl)methylene)amino)phenyl)-6-iodo-2-methyl-4(3H)-quinazolinone5-24-03-00211 (Beilstein Handbook Reference)4(3H)-Quinazolinone, 3-(4-(((2-hydroxy-3-nitrophenyl)methylene)amino)phenyl)-6-iodo-2-methyl-36933-79-6
Database identifiers
- CAS
36933-79-6- PubChem CID
- 64089
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 746
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…