Basic information
- Standard SMILES
C=CCNc1nc(Cl)nc2ccc([N+](=O)[O-])cc12- InChIKey
SHPNNBGNGFWURM-UHFFFAOYSA-N- Molecular formula
- C11H9ClN4O2
- Average molar mass
- 264.67 g/mol
Names & identifiers
- Preferred name
- 4-Allylamino-2-chloro-6-nitroquinazoline
- IUPAC
- 2-chloro-6-nitro-N-prop-2-enylquinazolin-4-amine
Names & synonyms
4-allylamino-2-chloro-6-nitroquinazolineSCHEMBL7678891SHPNNBGNGFWURM-UHFFFAOYSA-N4-ailylamino-2-chloro-6-nitroquinazoline
Database identifiers
- PubChem CID
- 18326487
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 323
Related reactions
42 records
Compound notes
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