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837-52-5 | 7-Chloro-4-(piperazin-1-yl)quinoline
CAS No: 837-52-5 Catalog No: AG003NEK MDL No:MFCD01476123
Product Description
Catalog Number:
AG003NEK
Chemical Name:
7-Chloro-4-(piperazin-1-yl)quinoline
CAS Number:
837-52-5
Molecular Formula:
C13H14ClN3
Molecular Weight:
247.7234
MDL Number:
MFCD01476123
IUPAC Name:
7-chloro-4-piperazin-1-ylquinoline
InChI:
InChI=1S/C13H14ClN3/c14-10-1-2-11-12(9-10)16-4-3-13(11)17-7-5-15-6-8-17/h1-4,9,15H,5-8H2
InChI Key:
DNXNPMDUDGUXOB-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)nccc2N1CCNCC1
UNII:
9JZN0X101D
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.088g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.726g/mol
Monoisotopic Mass:
247.088g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Discovery of β2 Adrenergic Receptor Ligands Using Biosensor Fragment Screening of Tagged Wild-Type Receptor. | ACS medicinal chemistry letters 20131010 |
| 7-Chloro-4-(piperazin-1-yl)quinoline. | Acta crystallographica. Section E, Structure reports online 20120501 |
| Enone- and chalcone-chloroquinoline hybrid analogues: in silico guided design, synthesis, antiplasmodial activity, in vitro metabolism, and mechanistic studies. | Journal of medicinal chemistry 20110526 |
| Antiplasmodial and antitumor activity of dihydroartemisinin analogs derived via the aza-Michael addition reaction. | Bioorganic & medicinal chemistry letters 20110515 |
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Quinolines and structurally related heterocycles as antimalarials. | European journal of medicinal chemistry 20100801 |
| Synthesis of novel hybrid molecules from precursors with known antiparasitic activity. | Molecules (Basel, Switzerland) 20090409 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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