Basic information
- CAS
292053-56-6- Standard SMILES
O=[N+]([O-])c1cccc2ccc(N3CCOCC3)nc12- InChIKey
NPRXCEZJOJIUJD-UHFFFAOYSA-N- Molecular formula
- C13H13N3O3
- Average molar mass
- 259.26 g/mol
- Monoisotopic mass
- 259.09569129
Names & identifiers
- Preferred name
- 2-(4-Morpholinyl)-8-nitroquinoline
- IUPAC
- 4-(8-nitroquinolin-2-yl)morpholine
Names & synonyms
292053-56-62-(4-morpholinyl)-8-nitroquinolineRefChem:2527292-Morpholin-4-yl-8-nitroquinoline2-(morpholin-4-yl)-8-nitroquinoline4-(8-nitroquinolin-2-yl)morpholinequinoline, 2-(4-morpholinyl)-8-nitro-MFCD02108863Cambridge id 6613071Oprea1_800610MLS000999869CHEMBL1537951
Show more names
SCHEMBL20340591DTXSID201296303HMS2818B05ALBB-027849AKOS024264538LS-09638SMR000497107H43731
Database identifiers
- CAS
292053-56-6- PubChem CID
- 2905409
- DTXSID
DTXSID201296303- ChEMBL
CHEMBL1537951
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 71.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 328
Experimental & physicochemical properties
Solubility38.4 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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