Basic information
- CAS
133671-54-2- Standard SMILES
c1ccc(-c2cc(N3CCSCC3)c3ccccc3n2)nc1- InChIKey
WHCXDFIKXHNYOD-UHFFFAOYSA-N- Molecular formula
- C18H17N3S
- Average molar mass
- 307.4 g/mol
- Monoisotopic mass
- 307.11431873
Names & identifiers
- Preferred name
- Quinoline, 2-(2-pyridinyl)-4-(4-thiomorpholinyl)-
- IUPAC
- 4-(2-pyridin-2-ylquinolin-4-yl)thiomorpholine
Names & synonyms
Quinoline, 2-(2-pyridinyl)-4-(4-thiomorpholinyl)-133671-54-24-(-Thiomorpholino)-2-(2-pyridyl)quinolineCHEMBL3013522-(PYRIDIN-2-YL)-4-(THIOMORPHOLIN-4-YL)QUINOLINEDTXSID101583044-[2-(2-pyridyl)-4-quinolyl]thiomorpholine
Database identifiers
- CAS
133671-54-2- PubChem CID
- 453060
- DTXSID
DTXSID10158304- ChEMBL
CHEMBL301352- Nikkaji
- J412.179A
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 54.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 358
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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