Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CC(COS(C)(=O)=O)c2c1cc(OCc1ccccc1)c1ncccc21- InChIKey
GQRHOTAHQFYKCY-UHFFFAOYSA-N- Molecular formula
- C25H28N2O6S
- Average molar mass
- 484.6 g/mol
Names & identifiers
- Preferred name
- 5-Benzyloxy-1-(methylsulfonyloxymethyl)-3-(tert-butyloxycarbonyl)-2,3-dihydro-1H-pyrrolo[3,2-f]quinoline
- IUPAC
- tert-butyl 1-(methylsulfonyloxymethyl)-5-phenylmethoxy-1,2-dihydropyrrolo[3,2-f]quinoline-3-carboxylate
Names & synonyms
SCHEMBL5865471GQRHOTAHQFYKCY-UHFFFAOYSA-N5-Benzyloxy-1-(methylsulfonyloxymethyl)-3-(tert-butyloxycarbonyl)-2,3-dihydro-1H-pyrrolo[3,2-f]quinoline
Database identifiers
- PubChem CID
- 22053384
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 801
Related reactions
2 records
Compound notes
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