Home Halogens 7-(3-Chloropropoxy)-4-((2,4-dichloro-5-methoxyphenyl)amino)-6-methoxyquinoline-3-carbonitrile

7-(3-Chloropropoxy)-4-((2,4-dichloro-5-methoxyphenyl)amino)-6-methoxyquinoline-3-carbonitrile

CAS No.:
380844-49-5
Catalog Number:
AG00I7I3
Molecular Formula:
C21H18Cl3N3O3
Molecular Weight:
466.7449
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
1 week
United States
$37
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Product Description
Catalog Number:
AG00I7I3
Chemical Name:
7-(3-Chloropropoxy)-4-((2,4-dichloro-5-methoxyphenyl)amino)-6-methoxyquinoline-3-carbonitrile
CAS Number:
380844-49-5
Molecular Formula:
C21H18Cl3N3O3
Molecular Weight:
466.7449
MDL Number:
MFCD09833975
IUPAC Name:
7-(3-chloropropoxy)-4-(2,4-dichloro-5-methoxyanilino)-6-methoxyquinoline-3-carbonitrile
InChI:
InChI=1S/C21H18Cl3N3O3/c1-28-18-9-17(14(23)7-15(18)24)27-21-12(10-25)11-26-16-8-20(30-5-3-4-22)19(29-2)6-13(16)21/h6-9,11H,3-5H2,1-2H3,(H,26,27)
InChI Key:
GASHKCRNJZBFBE-UHFFFAOYSA-N
SMILES:
ClCCCOc1cc2ncc(c(c2cc1OC)Nc1cc(OC)c(cc1Cl)Cl)C#N
Properties
Complexity:
592  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
465.041g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
466.743g/mol
Monoisotopic Mass:
465.041g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
76.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1  
Properties