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126921-45-7 | Quinoline, 4-[2-[4-(3-methylphenyl)-1-piperazinyl]ethyl]-
CAS No: 126921-45-7 Catalog No: AG000TGN MDL No:
Product Description
Catalog Number:
AG000TGN
Chemical Name:
Quinoline, 4-[2-[4-(3-methylphenyl)-1-piperazinyl]ethyl]-
CAS Number:
126921-45-7
Molecular Formula:
C22H25N3
Molecular Weight:
331.4540
IUPAC Name:
4-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]quinoline
InChI:
InChI=1S/C22H25N3/c1-18-5-4-6-20(17-18)25-15-13-24(14-16-25)12-10-19-9-11-23-22-8-3-2-7-21(19)22/h2-9,11,17H,10,12-16H2,1H3
InChI Key:
GQSXKWUTTMQELA-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)N1CCN(CC1)CCc1ccnc2c1cccc2
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.205g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.463g/mol
Monoisotopic Mass:
331.205g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
19.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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