Basic information
- Standard SMILES
C=CCNc1nc(NCCC(=O)N2CCCCC2)nc2ccc([N+](=O)[O-])cc12- InChIKey
QXEGKKVQCQFKHF-UHFFFAOYSA-N- Molecular formula
- C19H24N6O3
- Average molar mass
- 384.4 g/mol
Names & identifiers
- Preferred name
- 4-Allylamino-6-nitro-2-[2-(piperidinocarbonyl)ethylamino]quinazoline
- IUPAC
- 3-[[6-nitro-4-(prop-2-enylamino)quinazolin-2-yl]amino]-1-piperidin-1-ylpropan-1-one
Names & synonyms
SCHEMBL7683080QXEGKKVQCQFKHF-UHFFFAOYSA-N4-Allylamino-6-nitro-2-[2-(piperidinocarbonyl)ethylamino] quinazoline4-Allylamino-6-nitro-2-[2-(piperidinocarbonyl)ethylamino]quinazoline
Database identifiers
- PubChem CID
- 18326547
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 548
Related reactions
2 records
Compound notes
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