Basic information
- Standard SMILES
CCC(C)Nc1nc(Cl)nc2ccc([N+](=O)[O-])cc12- InChIKey
ZCBNOLZNIUPRPU-UHFFFAOYSA-N- Molecular formula
- C12H13ClN4O2
- Average molar mass
- 280.71 g/mol
Names & identifiers
- Preferred name
- 2-Chloro-4-(1-methylpropylamino)-6-nitroquinazoline
- IUPAC
- N-butan-2-yl-2-chloro-6-nitroquinazolin-4-amine
Names & synonyms
SCHEMBL7677252ZCBNOLZNIUPRPU-UHFFFAOYSA-N2-Chloro-4-(1-methylpropylamino)-6-nitroquinazoline
Database identifiers
- PubChem CID
- 18326435
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 325
Related reactions
1 records
Compound notes
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