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790681-53-7 | Propanedinitrile, [[2-(1-piperidinyl)-3-quinolinyl]methylene]-
CAS No: 790681-53-7 Catalog No: AG0053VM MDL No:
Product Description
Catalog Number:
AG0053VM
Chemical Name:
Propanedinitrile, [[2-(1-piperidinyl)-3-quinolinyl]methylene]-
CAS Number:
790681-53-7
Molecular Formula:
C18H16N4
Molecular Weight:
288.3464
IUPAC Name:
2-[(2-piperidin-1-ylquinolin-3-yl)methylidene]propanedinitrile
InChI:
InChI=1S/C18H16N4/c19-12-14(13-20)10-16-11-15-6-2-3-7-17(15)21-18(16)22-8-4-1-5-9-22/h2-3,6-7,10-11H,1,4-5,8-9H2
InChI Key:
WICCROUGNIICAE-UHFFFAOYSA-N
SMILES:
N#CC(=Cc1cc2ccccc2nc1N1CCCCC1)C#N
Properties
Complexity:
496
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.137g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.354g/mol
Monoisotopic Mass:
288.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| 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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