Basic information
- Standard SMILES
CCCCc1nc2c[n+]([O-])c3ccccc3c2n1CCOCCNC(=O)OC(C)(C)C- InChIKey
AHNGFJDMGMBKHS-UHFFFAOYSA-N- Molecular formula
- C23H32N4O4
- Average molar mass
- 428.5 g/mol
- Monoisotopic mass
- 428.24235551
Names & identifiers
- Preferred name
- tert-butyl 2-[2-(2-butyl-5-oxido-1H-imidazo[4,5-c]quinolin-1-yl)ethoxy]ethylcarbamate
- IUPAC
- tert-butyl N-[2-[2-(2-butyl-5-oxidoimidazo[4,5-c]quinolin-5-ium-1-yl)ethoxy]ethyl]carbamate
Names & synonyms
SCHEMBL4333747AHNGFJDMGMBKHS-UHFFFAOYSA-NDB-389274tert-butyl 2-[2-(2-butyl-5-oxido-1H-imidazo[4,5-c]quinolin-1-yl)ethoxy]ethylcarbamate1-(2-(2-((tert-butoxycarbonyl)amino)ethoxy)ethyl)-2-butyl-1H-imidazo[4,5-c]quinoline 5-oxide436856-82-5
Database identifiers
- PubChem CID
- 21898031
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 90.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 570
Related reactions
25 records
Compound notes
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