Basic information
- CAS
61895-33-8- Standard SMILES
COc1cc([N+](=O)[O-])c2nc(C)ccc2c1[N+](=O)[O-]- InChIKey
JGXMWNIVIDLSHR-UHFFFAOYSA-N- Molecular formula
- C11H9N3O5
- Average molar mass
- 263.21 g/mol
- Monoisotopic mass
- 263.0542204
Names & identifiers
- Preferred name
- Quinaldine, 5,8-dinitro-6-methoxy-
- IUPAC
- 6-methoxy-2-methyl-5,8-dinitroquinoline
- English name
- 6-Methoxy-2-methyl-5,8-dinitroquinoline
- Molecular formula
- C11H9N3O5
- Molecular weight
- 263.21
Names & synonyms
61895-33-8Quinaldine, 5,8-dinitro-6-methoxy-DTXSID20210907RefChem:1097755DTXCID101333985,8-Dinitro-6-methoxyquinaldine6-methoxy-2-methyl-5,8-dinitroquinolineMLS002703654BRN 1491003Quinoline, 2-methyl-6-methoxy-5,8-dinitro-NSC101647NCIOpen2_006913
Show more names
Quinoline, 6-methoxy-2-methyl-5,8-dinitro-
5-21-03-00340 (Beilstein Handbook Reference)CHEMBL1869668Quinaldine,8-dinitro-6-methoxy-NSC 101647NSC-101647SMR001570371DB-296594
Database identifiers
- CAS
61895-33-8- PubChem CID
- 97132
- DTXSID
DTXSID20210907- ChEMBL
CHEMBL1869668- Nikkaji
- J73.000I
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 366
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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