Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC[C@@H](Oc2ccc3cccc(-c4cc5c([nH]4)CCNC5=O)c3n2)C1- InChIKey
PCAKEVHWIXSULE-QGZVFWFLSA-N- Molecular formula
- C26H30N4O4
- Average molar mass
- 462.5 g/mol
- Monoisotopic mass
- 462.22670545
Names & identifiers
- Preferred name
- (R)-tert-butyl 3-((8-(4-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl)quinolin-2-yl)oxy)piperidine-1-carboxylate
- IUPAC
- tert-butyl (3R)-3-[8-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)quinolin-2-yl]oxypiperidine-1-carboxylate
Names & synonyms
SCHEMBL15232128PCAKEVHWIXSULE-QGZVFWFLSA-N(R)-tert-butyl 3-((8-(4-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl)quinolin-2-yl)oxy)piperidine-1-carboxylate
Database identifiers
- PubChem CID
- 89784696
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 96.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 756
Related reactions
2 records
Compound notes
Loading…