5-Chloro-8-[(2-chloro-1,3-thiazol-5-yl)methoxy]quinoline
Basic information
- CAS
672950-05-9- Standard SMILES
Clc1ncc(COc2ccc(Cl)c3cccnc23)s1- InChIKey
RDKQZRYXHDFWBC-UHFFFAOYSA-N- Molecular formula
- C13H8Cl2N2OS
- Average molar mass
- 311.2 g/mol
- Monoisotopic mass
- 309.9734394
Names & identifiers
- Preferred name
- 5-Chloro-8-[(2-chloro-1,3-thiazol-5-yl)methoxy]quinoline
- IUPAC
- 2-chloro-5-[(5-chloroquinolin-8-yl)oxymethyl]-1,3-thiazole
Names & synonyms
5-chloro-8-[(2-chloro-1,3-thiazol-5-yl)methoxy]quinoline672950-05-92-chloro-5-[(5-chloroquinolin-8-yl)oxymethyl]-1,3-thiazoleOprea1_656807MLS000706894CHEMBL1360698DTXSID601324651HMS2701I08AKOS005094243SMR0003357315R-06802-Chloro-5-(((5-chloroquinolin-8-yl)oxy)methyl)thiazole
Database identifiers
- CAS
672950-05-9- PubChem CID
- 3604297
- DTXSID
DTXSID601324651- ChEMBL
CHEMBL1360698
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 310
Experimental & physicochemical properties
Solubility8.6 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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