Basic information
- CAS
5428-59-1- Standard SMILES
CCN(CC)CCCC(C)Sc1ccnc2cc(Cl)ccc12- InChIKey
XTURKEKTTBMCQC-UHFFFAOYSA-N- Molecular formula
- C18H25ClN2S
- Average molar mass
- 336.9 g/mol
- Monoisotopic mass
- 336.1426977
Names & identifiers
- Preferred name
- 4-(7-chloroquinolin-4-yl)sulfanyl-N,N-diethylpentan-1-amine
- IUPAC
- 4-(7-chloroquinolin-4-yl)sulfanyl-N,N-diethylpentan-1-amine
Names & synonyms
NSC13273NSC-13273
Database identifiers
- CAS
5428-59-1- PubChem CID
- 224623
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 41.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 311
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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