Basic information
- CAS
851212-85-6- Standard SMILES
COc1ccc(NC(=O)c2cc(C)nc3ccccc23)cc1S(=O)(=O)N1CCOCC1- InChIKey
WTFBFKCOMSKLMM-UHFFFAOYSA-N- Molecular formula
- C22H23N3O5S
- Average molar mass
- 441.5 g/mol
- Monoisotopic mass
- 441.13584202
Names & identifiers
- Preferred name
- N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-methylquinoline-4-carboxamide
- IUPAC
- N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-methylquinoline-4-carboxamide
Names & synonyms
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-methylquinoline-4-carboxamideMLS002249829CHEMBL1727912DTXSID101332756HMS3084A18AKOS034060553851212-85-6SMR001317253SR-01000062589SR-01000062589-1Z28624523N-[4-methoxy-3-(morpholine-4-sulfonyl)phenyl]-2-methylquinoline-4-carboxamide
Database identifiers
- CAS
851212-85-6- PubChem CID
- 4966751
- DTXSID
DTXSID101332756- ChEMBL
CHEMBL1727912
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 721
Experimental & physicochemical properties
Solubility6.1 [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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