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87602-41-3 | 4-Quinolinamine,2,6,8-trimethyl-N-[4-(4-phenyl-1-piperazinyl)phenyl]-
CAS No: 87602-41-3 Catalog No: AG004PJM MDL No:
Product Description
Catalog Number:
AG004PJM
Chemical Name:
4-Quinolinamine,2,6,8-trimethyl-N-[4-(4-phenyl-1-piperazinyl)phenyl]-
CAS Number:
87602-41-3
Molecular Formula:
C28H30N4
Molecular Weight:
422.5646
IUPAC Name:
2,6,8-trimethyl-N-[4-(4-phenylpiperazin-1-yl)phenyl]quinolin-4-amine
InChI:
InChI=1S/C28H30N4/c1-20-17-21(2)28-26(18-20)27(19-22(3)29-28)30-23-9-11-25(12-10-23)32-15-13-31(14-16-32)24-7-5-4-6-8-24/h4-12,17-19H,13-16H2,1-3H3,(H,29,30)
InChI Key:
RGHHKTSAQKTSMJ-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c2c(c1)c(Nc1ccc(cc1)N1CCN(CC1)c1ccccc1)cc(n2)C
Properties
Complexity:
574
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
422.247g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
422.576g/mol
Monoisotopic Mass:
422.247g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
31.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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