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82241-22-3 | 2-Methyl-4-(piperazin-1-yl)quinoline
CAS No: 82241-22-3 Catalog No: AG0056DD MDL No:MFCD01935745
Product Description
Catalog Number:
AG0056DD
Chemical Name:
2-Methyl-4-(piperazin-1-yl)quinoline
CAS Number:
82241-22-3
Molecular Formula:
C14H17N3
Molecular Weight:
227.3049
MDL Number:
MFCD01935745
IUPAC Name:
2-methyl-4-piperazin-1-ylquinoline
InChI:
InChI=1S/C14H17N3/c1-11-10-14(17-8-6-15-7-9-17)12-4-2-3-5-13(12)16-11/h2-5,10,15H,6-9H2,1H3
InChI Key:
XYBLCORUTWKJOI-UHFFFAOYSA-N
SMILES:
Cc1cc(N2CCNCC2)c2c(n1)cccc2
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.142g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.311g/mol
Monoisotopic Mass:
227.142g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Discovery of β2 Adrenergic Receptor Ligands Using Biosensor Fragment Screening of Tagged Wild-Type Receptor. | ACS medicinal chemistry letters 20131010 |
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