Basic information
- Standard SMILES
C=CCNc1nc(NCC=C(C)C)nc2ccc([N+](=O)[O-])cc12- InChIKey
NNZISBUAEDQKGO-UHFFFAOYSA-N- Molecular formula
- C16H19N5O2
- Average molar mass
- 313.35 g/mol
- Monoisotopic mass
- 313.15387487
Names & identifiers
- Preferred name
- 4-Allylamino-2-(3-methyl-2-butenylamino)-6-nitroquinazoline
- IUPAC
- 2-N-(3-methylbut-2-enyl)-6-nitro-4-N-prop-2-enylquinazoline-2,4-diamine
Names & synonyms
SCHEMBL7683590NNZISBUAEDQKGO-UHFFFAOYSA-N4-Allylamino-2-(3-methyl-2-butenylamino)-6-nitroquinazoline
Database identifiers
- PubChem CID
- 18326458
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 95.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 444
Related reactions
2 records
Compound notes
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