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126921-41-3

126921-41-3 | Quinoline, 2-[1-methyl-2-[4-(3-methylphenyl)-1-piperazinyl]ethyl]-

CAS No: 126921-41-3 Catalog No: AG000TGR MDL No:

Product Description

Catalog Number:
AG000TGR
Chemical Name:
Quinoline, 2-[1-methyl-2-[4-(3-methylphenyl)-1-piperazinyl]ethyl]-
CAS Number:
126921-41-3
Molecular Formula:
C23H27N3
Molecular Weight:
345.4806
IUPAC Name:
2-[1-[4-(3-methylphenyl)piperazin-1-yl]propan-2-yl]quinoline
InChI:
InChI=1S/C23H27N3/c1-18-6-5-8-21(16-18)26-14-12-25(13-15-26)17-19(2)22-11-10-20-7-3-4-9-23(20)24-22/h3-11,16,19H,12-15,17H2,1-2H3
InChI Key:
DQRTZLGXPSQCPO-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)N1CCN(CC1)CC(c1ccc2c(n1)cccc2)C

Properties

Complexity:
431  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.22g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
345.49g/mol
Monoisotopic Mass:
345.22g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
19.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8  

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