2-Amino-3-methylimidazo(4,5-f)-quinoline 5-sulfate ester
Basic information
- CAS
122719-40-8- Standard SMILES
Cn1c(N)nc2c3cccnc3c(OS(=O)(=O)O)cc21- InChIKey
IJCMXQZLJSQAGV-UHFFFAOYSA-N- Molecular formula
- C11H10N4O4S
- Average molar mass
- 294.29 g/mol
- Monoisotopic mass
- 294.04227599
Overview
metabolite of 2-amino-3-methylimidazo(4,5-f)quinoline; structure given in first source
Names & identifiers
- Preferred name
- 2-Amino-3-methylimidazo(4,5-f)-quinoline 5-sulfate ester
- IUPAC
- (2-amino-3-methylimidazo[4,5-f]quinolin-5-yl) hydrogen sulfate
- English name
- 2-amino-3-methylimidazo(4,5-f)-quinoline 5-sulfate ester
- Molecular weight
- 0
Names & synonyms
122719-40-85-OH-Iq Sulfate ester2-Amino-3-methylimidazo(4,5-f)-quinoline 5-sulfate esterDTXSID00153686RefChem:85138DTXCID50761772-Amino-3-methyl-3H-imidazo[4,5-f]quinolin-5-yl hydrogen sulfate(2-amino-3-methylimidazo[4,5-f]quinolin-5-yl) hydrogen sulfate3H-Imidazo(4,5-f)quinolin-5-ol, 2-amino-3-methyl-, hydrogen sulfate (ester)
Database identifiers
- CAS
122719-40-8- PubChem CID
- 129769
- DTXSID
DTXSID00153686- Nikkaji
- J527.872D
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 468
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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