Basic information
- Standard SMILES
O=[N+]([O-])c1ccc2nc(-c3ccc4c(c3)OCCO4)ncc2c1- InChIKey
VNNOPWGQUJNFII-UHFFFAOYSA-N- Molecular formula
- C16H11N3O4
- Average molar mass
- 309.28 g/mol
- Monoisotopic mass
- 309.07495584
Names & identifiers
- Preferred name
- 6-Nitro-2-(2,3-dihydro-1,4-benzodioxine-6-yl)-quinazoline
- IUPAC
- 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-nitroquinazoline
Names & synonyms
6-nitro-2-(2,3-dihydro-1,4-benzodioxine-6-yl)-quinazoline1004997-84-5SCHEMBL1748346VNNOPWGQUJNFII-UHFFFAOYSA-NDB-3693366-nitro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-quinazoline
Database identifiers
- PubChem CID
- 57863142
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 90.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 444
Related reactions
3 records
Compound notes
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