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569329-55-1 | (6-METHOXY-4-QUINOLYL)(5-VINYL-1-AZABICYCLO[2.2.2]OCT-2-YL)METHANONE
CAS No: 569329-55-1 Catalog No: AG00F2L2 MDL No:
Product Description
Catalog Number:
AG00F2L2
Chemical Name:
(6-METHOXY-4-QUINOLYL)(5-VINYL-1-AZABICYCLO[2.2.2]OCT-2-YL)METHANONE
CAS Number:
569329-55-1
IUPAC Name:
(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanone
InChI:
InChI=1S/C20H22N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19H,1,7,9-10,12H2,2H3
InChI Key:
SRFCUPVBYYAMIL-UHFFFAOYSA-N
EC Number:
238-549-5
Properties
Complexity:
494
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.168g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.408g/mol
Monoisotopic Mass:
322.168g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Literature
| Title | Journal |
|---|---|
| Ground and excited electronic states of quininone-containing Re(I)-based rectangles: a comprehensive study of their preparation, electrochemistry, and photophysics. | Inorganic chemistry 20090420 |
| A pharmacophore hypothesis for P-glycoprotein substrate recognition using GRIND-based 3D-QSAR. | Journal of medicinal chemistry 20050421 |
| Electrodes modified with monoolein cubic phases hosting laccases for the catalytic reduction of dioxygen. | Analytical chemistry 20040115 |
| Metabolism and elimination of quinine in healthy volunteers. | European journal of clinical pharmacology 20030901 |
| Nuclear overexpression of NADH:cytochrome b5 reductase activity increases the cytotoxicity of mitomycin C (MC) and the total number of MC-DNA adducts in Chinese hamster ovary cells. | The Journal of biological chemistry 20030214 |
| Simultaneous determination of quinine and four metabolites in plasma and urine by high-performance liquid chromatography. | Journal of chromatography. B, Biomedical sciences and applications 20010415 |
| Development of a pharmacophore for inhibition of human liver cytochrome P-450 2D6: molecular modeling and inhibition studies. | Journal of medicinal chemistry 19930430 |
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