Quinuronium
Basic information
- CAS
14910-31-7- Standard SMILES
C[n+]1cccc2cc(NC(=O)Nc3ccc4c(ccc[n+]4C)c3)ccc21- InChIKey
XNGCPUFXJFAGRG-UHFFFAOYSA-O- Molecular formula
- C21H20N4O+2
- Average molar mass
- 344.4 g/mol
- Monoisotopic mass
- 344.16371127
Names & identifiers
- Preferred name
- Quinuronium
- IUPAC
- 1,3-bis(1-methylquinolin-1-ium-6-yl)urea
- English name
- 6,6'-(Carbonylbisimino)bis(1-methylquinolinium)
- Molecular weight
- 0
Names & synonyms
Quinuronium14910-31-7Quinolinium, 6,6'-(carbonyldiimino)bis(1-methyl-Quinolinium, 6,6'-ureylenebis(1-methyl-324LL33THVBRN 37107761,3-bis(1-methylquinolin-1-ium-6-yl)ureaUNII-324LL33THV6,6'-(Carbonyldiimino)bis(1-methylquinolinium)QUINURONIUM IONQUINURONIUM CATION6,6/'-(Carbonylbisimino)bis(1-methylquinolinium)
Show more names
6,6'-(Carbonylbisimino)bis(1-methylquinolinium)
DTXSID00164176N,N'-DIMETHYL-1,3-DI-6-QUINOLYLUREAQ272561376,6'-[Carbonylbis(azanediyl)]bis(1-methylquinolin-1-ium)
Database identifiers
- CAS
14910-31-7- PubChem CID
- 8662
- DTXSID
DTXSID00164176- UNII
- 324LL33THV
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 48.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 2
- Complexity
- 456
Physicochemical properties
- FDA UNII
- 324 LL33THV · 324LL33THV
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Related reactions
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Compound notes
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