Basic information
- CAS
85986-86-3- Standard SMILES
COc1ccc2nc(C)cc(NN3C(=O)/C(=C/c4ccccc4[N+](=O)[O-])N=C3C)c2c1- InChIKey
IJKWPBBBGYRQKU-JAIQZWGSSA-N- Molecular formula
- C22H19N5O4
- Average molar mass
- 417.4 g/mol
- Monoisotopic mass
- 417.1437041
Names & identifiers
- Preferred name
- 4H-Imidazol-4-one, 3,5-dihydro-3-((6-methoxy-2-methyl-4-quinolinyl)amino)-2-methyl-5-((2-nitrophenyl)methylene)-
- IUPAC
- (5Z)-3-[(6-methoxy-2-methylquinolin-4-yl)amino]-2-methyl-5-[(2-nitrophenyl)methylidene]imidazol-4-one
Names & synonyms
4H-Imidazol-4-one, 3,5-dihydro-3-((6-methoxy-2-methyl-4-quinolinyl)amino)-2-methyl-5-((2-nitrophenyl)methylene)-85986-86-3RefChem:1071938
Database identifiers
- CAS
85986-86-3- PubChem CID
- 6448326
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 763
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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