Home Halogens 1,3-Bis(4-(7-chloroquinolin-4-yl)piperazin-1-yl)propane

1,3-Bis(4-(7-chloroquinolin-4-yl)piperazin-1-yl)propane

CAS No.:
4085-31-8
Catalog Number:
AG00I808
Molecular Formula:
C29H32Cl2N6
Molecular Weight:
535.5106
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$143
- +
5g
98%
In Stock USA
United States
$429
- +
Product Description
Catalog Number:
AG00I808
Chemical Name:
1,3-Bis(4-(7-chloroquinolin-4-yl)piperazin-1-yl)propane
CAS Number:
4085-31-8
Molecular Formula:
C29H32Cl2N6
Molecular Weight:
535.5106
MDL Number:
MFCD01237079
IUPAC Name:
7-chloro-4-[4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl]piperazin-1-yl]quinoline
InChI:
InChI=1S/C29H32Cl2N6/c30-22-2-4-24-26(20-22)32-8-6-28(24)36-16-12-34(13-17-36)10-1-11-35-14-18-37(19-15-35)29-7-9-33-27-21-23(31)3-5-25(27)29/h2-9,20-21H,1,10-19H2
InChI Key:
UCRHFBCYFMIWHC-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)nccc2N1CCN(CC1)CCCN1CCN(CC1)c1ccnc2c1ccc(c2)Cl
UNII:
A0HV2Q956Y
Properties
Complexity:
655  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
534.207g/mol
Formal Charge:
0
Heavy Atom Count:
37  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
535.517g/mol
Monoisotopic Mass:
534.207g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6  
Literature
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