Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC(CNc2c(N)cnc3cc(Br)ccc23)CC1- InChIKey
IVOVJKNQPNRJHF-UHFFFAOYSA-N- Molecular formula
- C20H27BrN4O2
- Average molar mass
- 435.4 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 4-[(3-amino-7-bromoquinolin-4-ylamino)methyl]piperidine-1-carboxylate
- IUPAC
- tert-butyl 4-[[(3-amino-7-bromoquinolin-4-yl)amino]methyl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL3861453IVOVJKNQPNRJHF-UHFFFAOYSA-Ntert-butyl 4-[(3-amino-7-bromoquinolin-4-ylamino)methyl]piperidine-1-carboxylate
Database identifiers
- PubChem CID
- 21984428
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 80.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 505
Related reactions
4 records
Compound notes
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