Basic information
- CAS
169205-61-2- Standard SMILES
O=[N+]([O-])c1cccc2ncnc(NCc3ccccc3)c12- InChIKey
VYDBASPMDRHHCU-UHFFFAOYSA-N- Molecular formula
- C15H12N4O2
- Average molar mass
- 280.28 g/mol
- Monoisotopic mass
- 280.09602564
Names & identifiers
- Preferred name
- N-benzyl-5-nitroquinazolin-4-amine
- IUPAC
- N-benzyl-5-nitroquinazolin-4-amine
Names & synonyms
N-benzyl-5-nitroquinazolin-4-amine169205-61-24-(Benzylamino)quinazoline deriv. 264-Quinazolinamine, 5-nitro-N-(phenylmethyl)-BDBM3275CHEMBL119708DTXSID70416139
Database identifiers
- CAS
169205-61-2- PubChem CID
- 5328024
- DTXSID
DTXSID70416139- ChEMBL
CHEMBL119708
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 354
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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