Basic information
- CAS
5418-54-2- Standard SMILES
CC(C)NCCCNc1ccnc2cc(Cl)ccc12- InChIKey
XSEQDLPSDCETSK-UHFFFAOYSA-N- Molecular formula
- C15H20ClN3
- Average molar mass
- 277.79 g/mol
- Monoisotopic mass
- 277.1345753
Names & identifiers
- Preferred name
- n-(7-Chloroquinolin-4-yl)-n'-(propan-2-yl)propane-1,3-diamine
- IUPAC
- N-(7-chloroquinolin-4-yl)-N'-propan-2-ylpropane-1,3-diamine
Names & synonyms
5418-54-2n-(7-chloroquinolin-4-yl)-n'-(propan-2-yl)propane-1,3-diamineNSC10486CHEMBL272199SCHEMBL13609162SCHEMBL30817043DTXSID00278888NSC-10486N~1~-(7-Chloroquinolin-4-yl)-N~3~-(propan-2-yl)propane-1,3-diamine
Database identifiers
- CAS
5418-54-2- PubChem CID
- 223165
- DTXSID
DTXSID00278888- ChEMBL
CHEMBL272199
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 37 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 260
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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