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Home > Quinoline > 145970-12-3
145970-12-3 | 3-Quinolinecarboxamide, 4-hydroxy-N-[(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl]-
CAS No: 145970-12-3 Catalog No: AG001DKJ MDL No:
Product Description
Catalog Number:
AG001DKJ
Chemical Name:
3-Quinolinecarboxamide, 4-hydroxy-N-[(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl]-
CAS Number:
145970-12-3
Molecular Formula:
C18H21N3O2
Molecular Weight:
311.3782
IUPAC Name:
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxo-1H-quinoline-3-carboxamide
InChI:
InChI=1S/C18H21N3O2/c1-21-12-6-7-13(21)9-11(8-12)20-18(23)15-10-19-16-5-3-2-4-14(16)17(15)22/h2-5,10-13H,6-9H2,1H3,(H,19,22)(H,20,23)
InChI Key:
ZPEDRMCLQWINAG-UHFFFAOYSA-N
SMILES:
CN1C2CCC1CC(C2)NC(=O)c1cnc2c(c1O)cccc2
Properties
Complexity:
530
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.163g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
311.385g/mol
Monoisotopic Mass:
311.163g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| 5-HT3 receptor antagonists. 3. Quinoline derivatives which may be effective in the therapy of irritable bowel syndrome. | Journal of medicinal chemistry 19931029 |
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