(3E)-7-methoxy-1-(4-methylphenyl)sulfonyl-3-[(4-phenylpiperazin-1-yl)methylidene]-2H-quinolin-4-one
Basic information
- CAS
75227-31-5- Standard SMILES
COc1ccc2c(c1)N(S(=O)(=O)c1ccc(C)cc1)C/C(=C\N1CCN(c3ccccc3)CC1)C2=O- InChIKey
JRMGIPJFTUXLSD-ZBJSNUHESA-N- Molecular formula
- C28H29N3O4S
- Average molar mass
- 503.6 g/mol
- Monoisotopic mass
- 503.18787759
Names & identifiers
- Preferred name
- (3E)-7-methoxy-1-(4-methylphenyl)sulfonyl-3-[(4-phenylpiperazin-1-yl)methylidene]-2H-quinolin-4-one
- IUPAC
- (3E)-7-methoxy-1-(4-methylphenyl)sulfonyl-3-[(4-phenylpiperazin-1-yl)methylidene]-2H-quinolin-4-one
Names & synonyms
NSC32113775227-31-5DTXSID70420433NSC-321137(3E)-7-Methoxy-1-(4-methylbenzene-1-sulfonyl)-3-[(4-phenylpiperazin-1-yl)methylidene]-2,3-dihydroquinolin-4(1H)-one
Database identifiers
- CAS
75227-31-5- PubChem CID
- 5477457
- DTXSID
DTXSID70420433
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 78.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 894
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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