Basic information
- CAS
41288-12-4- Standard SMILES
COc1cc(OCCCN2CCSC2)nc2ccccc12- InChIKey
PQSSZNQPCOJKJV-UHFFFAOYSA-N- Molecular formula
- C16H20N2O2S
- Average molar mass
- 304.4 g/mol
- Monoisotopic mass
- 304.12454906
Names & identifiers
- Preferred name
- Thiazolidine, 3-(3-(4-methoxy-2-quinolinyloxy)propyl)-
- IUPAC
- 3-[3-(4-methoxyquinolin-2-yl)oxypropyl]-1,3-thiazolidine
- English name
- 3-[3-(4-Methoxyquinolin-2-yloxy)propyl]thiazolidine
- Molecular formula
- C16H20N2O2S
- Molecular weight
- 304.41
Names & synonyms
41288-12-4BRN 1130251Thiazolidine, 3-(3-(4-methoxy-2-quinolinyloxy)propyl)-3-(3-(4-Methoxy-2-quinolinyloxy)propyl)thiazolidineQuinoline, 4-methoxy-2-(3-(3-thiazolidinyl)propoxy)-DTXSID10194262RefChem:384667DTXCID201167533-[3-(4-Methoxyquinolin-2-yloxy)propyl]thiazolidine4-methoxy-2-[3-(1,3-thiazolidin-3-yl)propoxy]quinolineQuinoline, 4-methoxy-2-[3-(3-thiazolidinyl)propoxy]-
Database identifiers
- CAS
41288-12-4- PubChem CID
- 218907
- DTXSID
DTXSID10194262- Nikkaji
- J48.811I
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 59.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 319
Physicochemical properties
- Boiling point
- 455 · 455.0±45.0 °C(Predicted)
- Density
- 1.202 · 1.202±0.06 g/cm3(Predicted)
- pka
- 6.87 · 6.87±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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