2,4,6(1h,3h,5h)-Pyrimidinetrione, 5,5'-(4-quinolinylmethylene)bis-
Basic information
- CAS
5442-88-6- Standard SMILES
O=C1NC(=O)C(C(c2ccnc3ccccc23)C2C(=O)NC(=O)NC2=O)C(=O)N1- InChIKey
LYWHVUZCDRTUNM-UHFFFAOYSA-N- Molecular formula
- C18H13N5O6
- Average molar mass
- 395.3 g/mol
- Monoisotopic mass
- 395.08658315
Names & identifiers
- Preferred name
- 2,4,6(1h,3h,5h)-Pyrimidinetrione, 5,5'-(4-quinolinylmethylene)bis-
- IUPAC
- 5-[quinolin-4-yl-(2,4,6-trioxo-1,3-diazinan-5-yl)methyl]-1,3-diazinane-2,4,6-trione
Names & synonyms
5442-88-62,4,6(1h,3h,5h)-pyrimidinetrione, 5,5'-(4-quinolinylmethylene)bis-NSC13379CHEMBL113696DTXSID50279608NSC-133795,5'-[(Quinolin-4-yl)methylene]di(1,3-diazinane-2,4,6-trione)
Database identifiers
- CAS
5442-88-6- PubChem CID
- 224686
- DTXSID
DTXSID50279608- ChEMBL
CHEMBL113696- Nikkaji
- J1.828.358A
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 163 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 710
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Compound notes
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