tert-butyl {1-[2-(7-bromo-2-oxoquinolin-1(2H)-yl)ethyl]piperidin-4-yl}carbamate
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Basic information
- Standard SMILES
CC(C)(C)OC(=O)NC1CCN(CCn2c(=O)ccc3ccc(Br)cc32)CC1- InChIKey
BPUWECYKYZGCJM-UHFFFAOYSA-N- Molecular formula
- C21H28BrN3O3
- Average molar mass
- 450.4 g/mol
- Monoisotopic mass
- 449.1314
Names & identifiers
- Preferred name
- tert-butyl {1-[2-(7-bromo-2-oxoquinolin-1(2H)-yl)ethyl]piperidin-4-yl}carbamate
- IUPAC
- tert-butyl N-[1-[2-(7-bromo-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]carbamate
Names & synonyms
tert-butyl {1-[2-(7-bromo-2-oxoquinolin-1(2H)-yl)ethyl]piperidin-4-yl}carbamateBPUWECYKYZGCJM-UHFFFAOYSA-N917341-33-4DB-344133tert-butyl{1-[2-(7-bromo-2-oxoquinolin-1(2H)-yl)ethyl]piperidin-4-yl}carbamate
Database identifiers
- PubChem CID
- 60200428
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 61.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 596
Related reactions
3 records
Compound notes
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