2-methyl-1-(2-morpholin-4-yl-6-nitro-2H-chromen-3-yl)propan-1-one
Basic information
- CAS
183364-37-6- Standard SMILES
CC(C)C(=O)C1=Cc2cc([N+](=O)[O-])ccc2OC1N1CCOCC1- InChIKey
FQFOANNTVMYKIM-UHFFFAOYSA-N- Molecular formula
- C17H20N2O5
- Average molar mass
- 332.4 g/mol
- Monoisotopic mass
- 332.13722174
Names & identifiers
- Preferred name
- 2-methyl-1-(2-morpholin-4-yl-6-nitro-2H-chromen-3-yl)propan-1-one
- IUPAC
- 2-methyl-1-(2-morpholin-4-yl-6-nitro-2H-chromen-3-yl)propan-1-one
Names & synonyms
183364-37-62-methyl-1-(2-morpholin-4-yl-6-nitro-2H-chromen-3-yl)propan-1-oneChemDiv1_024251MLS001207022CHEMBL1350711SCHEMBL16299051HMS655O072-Methyl-1-[2-(morpholin-4-yl)-6-nitro-2H-1-benzopyran-3-yl]propan-1-oneFQFOANNTVMYKIM-UHFFFAOYSA-NDTXSID701320945HMS2827O182-Methyl-1-(2-morpholin-4-yl-6-nitro-2H-chromen-3-yl)-propan-1-one
Show more names
STK7930322-methyl-1-[2-(morpholin-4-yl)-6-nitro-2H-chromen-3-yl]propan-1-oneAKOS000661185AKOS021996120SMR000516583ST062083AB00095018-01AE-848/33224046
Database identifiers
- CAS
183364-37-6- PubChem CID
- 618774
- DTXSID
DTXSID701320945- ChEMBL
CHEMBL1350711- Nikkaji
- J845.072B
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 84.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 522
Experimental & physicochemical properties
Solubility2.5 [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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