4-Imidazol-1-yl-1-methyl-3-nitroquinolin-2-one
Basic information
- CAS
337338-35-9- Standard SMILES
Cn1c(=O)c([N+](=O)[O-])c(-n2ccnc2)c2ccccc21- InChIKey
WUBVJSYRHXOQIJ-UHFFFAOYSA-N- Molecular formula
- C13H10N4O3
- Average molar mass
- 270.24 g/mol
- Monoisotopic mass
- 270.07529019
Names & identifiers
- Preferred name
- 4-Imidazol-1-yl-1-methyl-3-nitroquinolin-2-one
- IUPAC
- 4-imidazol-1-yl-1-methyl-3-nitroquinolin-2-one
Names & synonyms
4-imidazol-1-yl-1-methyl-3-nitroquinolin-2-one337338-35-94-(1H-imidazol-1-yl)-1-methyl-3-nitroquinolin-2(1H)-oneCBMicro_048986Oprea1_223141Oprea1_567045MLS0007660764-Imidazol-1-yl-1-methyl-3-nitro-1H-quinolin-2-oneCHEMBL1608041DTXSID801319599HMS2667M21STK857884
Show more names
AKOS000633126SMR000279782BIM-0049262.P001AG-690/140050103-nitro-4-(1H-imidazol-1-yl)-1-methylquinolin-2(1H)-one
Database identifiers
- CAS
337338-35-9- PubChem CID
- 769903
- DTXSID
DTXSID801319599- ChEMBL
CHEMBL1608041
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 84 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 471
Experimental & physicochemical properties
Solubility37.4 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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