Home Halogens 1,4-Bis(7-chloroquinolin-4-yl)piperazine

1,4-Bis(7-chloroquinolin-4-yl)piperazine

CAS No.:
31502-87-1
Catalog Number:
AG00CLLS
Molecular Formula:
C22H18Cl2N4
Molecular Weight:
409.3111
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Product Description
Catalog Number:
AG00CLLS
Chemical Name:
1,4-Bis(7-chloroquinolin-4-yl)piperazine
CAS Number:
31502-87-1
Molecular Formula:
C22H18Cl2N4
Molecular Weight:
409.3111
MDL Number:
MFCD01236858
IUPAC Name:
7-chloro-4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]quinoline
InChI:
InChI=1S/C22H18Cl2N4/c23-15-1-3-17-19(13-15)25-7-5-21(17)27-9-11-28(12-10-27)22-6-8-26-20-14-16(24)2-4-18(20)22/h1-8,13-14H,9-12H2
InChI Key:
XSMHXIXQAIQGTD-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)nccc2N1CCN(CC1)c1ccnc2c1ccc(c2)Cl
UNII:
D355AT4JYE
Properties
Complexity:
481  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
408.091g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
409.314g/mol
Monoisotopic Mass:
408.091g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4  
Properties