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87602-42-4 | N-(4-(4-(4-Methylphenyl)-1-piperazinyl)phenyl)-2,6,8-trimethyl-4-quinolinamine
CAS No: 87602-42-4 Catalog No: AG004LZF MDL No:
Product Description
Catalog Number:
AG004LZF
Chemical Name:
N-(4-(4-(4-Methylphenyl)-1-piperazinyl)phenyl)-2,6,8-trimethyl-4-quinolinamine
CAS Number:
87602-42-4
Molecular Formula:
C29H32N4
Molecular Weight:
436.5912
IUPAC Name:
2,6,8-trimethyl-N-[4-[4-(4-methylphenyl)piperazin-1-yl]phenyl]quinolin-4-amine
InChI:
InChI=1S/C29H32N4/c1-20-5-9-25(10-6-20)32-13-15-33(16-14-32)26-11-7-24(8-12-26)31-28-19-23(4)30-29-22(3)17-21(2)18-27(28)29/h5-12,17-19H,13-16H2,1-4H3,(H,30,31)
InChI Key:
KAFXIZMVPQNJOA-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)N1CCN(CC1)c1ccc(cc1)Nc1cc(C)nc2c1cc(C)cc2C
Properties
Complexity:
601
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
436.263g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
436.603g/mol
Monoisotopic Mass:
436.263g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
31.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
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