5-[(2,5-Dimethyl-1-quinolin-6-ylpyrrol-3-yl)methylidene]-1-(2-fluorophenyl)-1,3-diazinane-2,4,6-trione
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Basic information
- CAS
469883-21-4- Standard SMILES
Cc1cc(C=C2C(=O)NC(=O)N(c3ccccc3F)C2=O)c(C)n1-c1ccc2ncccc2c1- InChIKey
ANGXLEYHBZBVRU-UHFFFAOYSA-N- Molecular formula
- C26H19FN4O3
- Average molar mass
- 454.5 g/mol
- Monoisotopic mass
- 454.14411864
Names & identifiers
- Preferred name
- 5-[(2,5-Dimethyl-1-quinolin-6-ylpyrrol-3-yl)methylidene]-1-(2-fluorophenyl)-1,3-diazinane-2,4,6-trione
- IUPAC
- 5-[(2,5-dimethyl-1-quinolin-6-ylpyrrol-3-yl)methylidene]-1-(2-fluorophenyl)-1,3-diazinane-2,4,6-trione
- English name
- 5-{[2,5-dimethyl-1-(6-quinolinyl)-1H-pyrrol-3-yl]methylene}-1-(2-fluorophenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
- Molecular formula
- C26H19FN4O3
- Molecular weight
- 454.45
Names & synonyms
5-{[2,5-dimethyl-1-(6-quinolinyl)-1H-pyrrol-3-yl]methylene}-1-(2-fluorophenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
Database identifiers
- CAS
469883-21-4- PubChem CID
- 3589579
Properties
Computed structural propertiesFilling in
- XLogP
- 4.3
- Topological polar surface area
- 84.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 863
Physicochemical properties
- Density
- 1.368 · 1.368±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 7.436 · 7.436±0.20(predicted)
Related reactions
0 records
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Compound notes
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