Basic information
- Standard SMILES
O=[N+]([O-])c1ccc2ncnc(Nc3ccccc3)c2c1- InChIKey
LJMGWHXMJIZVDQ-UHFFFAOYSA-N- Molecular formula
- C14H10N4O2
- Average molar mass
- 266.25 g/mol
- Monoisotopic mass
- 266.08037557
Names & identifiers
- Preferred name
- 6-Nitro-N-phenylquinazolin-4-amine
- IUPAC
- 6-nitro-N-phenylquinazolin-4-amine
Names & synonyms
6-Nitro-N-phenylquinazolin-4-amineCHEMBL32829549675-75-4nchembio866-comp23BDBM3513SCHEMBL1192454LJMGWHXMJIZVDQ-UHFFFAOYSA-N4-(phenylamino)-6-nitroquinazoline6-nitro-4-(phenylamino)quinazolineDA-35958
Database identifiers
- PubChem CID
- 5328189
- ChEMBL
CHEMBL328295- Nikkaji
- J715.827K
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 341
Related reactions
10 records
Compound notes
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