n4-[6-(Benzylsulfanyl)-7-chloroquinolin-4-yl]-n1,n1-diethylpentane-1,4-diamine
Basic information
- CAS
5431-08-3- Standard SMILES
CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)c(SCc3ccccc3)cc12- InChIKey
CPNZFAYIRSHTEY-UHFFFAOYSA-N- Molecular formula
- C25H32ClN3S
- Average molar mass
- 442.1 g/mol
- Monoisotopic mass
- 441.2005469
Names & identifiers
- Preferred name
- n4-[6-(Benzylsulfanyl)-7-chloroquinolin-4-yl]-n1,n1-diethylpentane-1,4-diamine
- IUPAC
- 4-N-(6-benzylsulfanyl-7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
Names & synonyms
5431-08-3NSC13483n4-[6-(benzylsulfanyl)-7-chloroquinolin-4-yl]-n1,n1-diethylpentane-1,4-diamineDTXSID40279632NSC-13483N~4~-[6-(Benzylsulfanyl)-7-chloroquinolin-4-yl]-N~1~,N~1~-diethylpentane-1,4-diamine
Database identifiers
- CAS
5431-08-3- PubChem CID
- 224743
- DTXSID
DTXSID40279632
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 53.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 469
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…