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112036-63-2 | Quinoline, 6,7-dimethoxy-2-(4-methyl-1-piperazinyl)-
CAS No: 112036-63-2 Catalog No: AG007UWJ MDL No:
Product Description
Catalog Number:
AG007UWJ
Chemical Name:
Quinoline, 6,7-dimethoxy-2-(4-methyl-1-piperazinyl)-
CAS Number:
112036-63-2
Molecular Formula:
C16H21N3O2
Molecular Weight:
287.3568
IUPAC Name:
6,7-dimethoxy-2-(4-methylpiperazin-1-yl)quinoline
InChI:
InChI=1S/C16H21N3O2/c1-18-6-8-19(9-7-18)16-5-4-12-10-14(20-2)15(21-3)11-13(12)17-16/h4-5,10-11H,6-9H2,1-3H3
InChI Key:
GQELKBHPLMXHBB-UHFFFAOYSA-N
SMILES:
COc1cc2nc(ccc2cc1OC)N1CCN(CC1)C
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.163g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.363g/mol
Monoisotopic Mass:
287.163g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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