Basic information
- CAS
75227-30-4- Standard SMILES
COc1ccc2c(c1)N(S(=O)(=O)c1ccc(C)cc1)C/C(=C\N1CCN(C)CC1)C2=O- InChIKey
NTIAPLKSNOQBNS-OBGWFSINSA-N- Molecular formula
- C23H27N3O4S
- Average molar mass
- 441.5 g/mol
- Monoisotopic mass
- 441.17222752
Names & identifiers
- Preferred name
- (3E)-7-methoxy-1-(4-methylphenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methylidene]-2H-quinolin-4-one
- IUPAC
- (3E)-7-methoxy-1-(4-methylphenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methylidene]-2H-quinolin-4-one
Names & synonyms
NSC32113875227-30-4DTXSID30420434NSC-321138(3E)-7-Methoxy-1-(4-methylbenzene-1-sulfonyl)-3-[(4-methylpiperazin-1-yl)methylidene]-2,3-dihydroquinolin-4(1H)-one
Database identifiers
- CAS
75227-30-4- PubChem CID
- 5477458
- DTXSID
DTXSID30420434
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 78.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 777
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…