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Home > Quinoline > 133671-54-2
133671-54-2 | 2-(PYRIDIN-2-YL)-4-(4-THIOMORPHOLINYL)QUINOLINE
CAS No: 133671-54-2 Catalog No: AG007261 MDL No:
Product Description
Catalog Number:
AG007261
Chemical Name:
2-(PYRIDIN-2-YL)-4-(4-THIOMORPHOLINYL)QUINOLINE
CAS Number:
133671-54-2
Molecular Formula:
C18H17N3S
Molecular Weight:
307.4127
IUPAC Name:
4-(2-pyridin-2-ylquinolin-4-yl)thiomorpholine
InChI:
InChI=1S/C18H17N3S/c1-2-6-15-14(5-1)18(21-9-11-22-12-10-21)13-17(20-15)16-7-3-4-8-19-16/h1-8,13H,9-12H2
InChI Key:
WHCXDFIKXHNYOD-UHFFFAOYSA-N
SMILES:
S1CCN(CC1)c1cc(nc2c1cccc2)c1ccccn1
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.114g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.415g/mol
Monoisotopic Mass:
307.114g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Literature
| Title | Journal |
|---|---|
| Synthesis and quantitative structure-activity relationship analysis of 2-(aryl or heteroaryl)quinolin-4-amines, a new class of anti-HIV-1 agents. | Journal of medicinal chemistry 19910501 |
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