Basic information
- Standard SMILES
CC(C)(C)OC(=O)NC1CCC(C(=O)Nc2ccnc3ccccc23)CC1- InChIKey
RYQNNYQPUOGRFO-UHFFFAOYSA-N- Molecular formula
- C21H27N3O3
- Average molar mass
- 369.5 g/mol
Names & identifiers
- Preferred name
- trans-[4-(Quinolin-4-ylcarbamoyl)-cyclohexyl]-carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[4-(quinolin-4-ylcarbamoyl)cyclohexyl]carbamate
Names & synonyms
SCHEMBL3576222SCHEMBL3576223RYQNNYQPUOGRFO-SHTZXODSSA-Ntrans-[4-(Quinolin-4-ylcarbamoyl)-cyclohexyl]-carbamic acid tert-butyl ester
Database identifiers
- PubChem CID
- 68699100
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 80.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 523
Related reactions
1 records
Compound notes
Loading…