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Also known as: 380844-49-5, 7-(3-chloropropoxy)-4-(2,4-dichloro-5-methoxyanilino)-6-methoxyquinoline-3-carbonitrile, Mfcd09833975, 7-(3-chloropropoxy)-4-(2,4-dichloro-5-methoxyphenyl-amino)-6-methoxyquinoline-3-carbonitrile, 7-(3-chloropropoxy)-4-(2,4-dichloro-5-methoxyphenylamino)-6-methoxyquinoline-3-carbonitrile, 7-(3-chloro-propoxy)-4-(2,4-dichloro-5-methoxy-phenylamino)-6-methoxy-quinoline-3-carbonitrile
Molecular Formula
C21H18Cl3N3O3
Molecular Weight
466.7  g/mol
InChI Key
GASHKCRNJZBFBE-UHFFFAOYSA-N

CAS 380844-49-5
1 2D Structure

CAS 380844-49-5

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
7-(3-chloropropoxy)-4-(2,4-dichloro-5-methoxyanilino)-6-methoxyquinoline-3-carbonitrile
2.1.2 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)
2.1.3 InChI Key
GASHKCRNJZBFBE-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=CC(=C(C=C3Cl)Cl)OC)OCCCCl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 380844-49-5

2. 7-(3-chloropropoxy)-4-(2,4-dichloro-5-methoxyanilino)-6-methoxyquinoline-3-carbonitrile

3. Mfcd09833975

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

5. 7-(3-chloropropoxy)-4-(2,4-dichloro-5-methoxyphenylamino)-6-methoxyquinoline-3-carbonitrile

6. 7-(3-chloro-propoxy)-4-(2,4-dichloro-5-methoxy-phenylamino)-6-methoxy-quinoline-3-carbonitrile

7. 7-(3-chloropropoxy)-4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxyquinoline-3-carbonitrile

8. 7-(3-chloropropoxy)-4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-3-quinolinecarbonitrile

9. 7-(3-chloro-propoxy)-4-(2,4-dichlor

10. 7-[3-chloropropoxy]-4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-3-quinolinecarbonitrile

11. Schembl2886333

12. Dtxsid50453249

13. Amy22109

14. Zinc22012788

15. Akos024262328

16. Ds-9126

17. Ac-25045

18. Da-35889

19. Sy103477

20. Cs-0187241

21. Ft-0716580

22. C74946

23. A851929

24. 4-(2,4-dichloro-5-methoxyanilino)-6-methoxy-7-(3-chloropropoxy)quinoline-3-carbonitrile

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 466.7 g/mol
Molecular Formula C21H18Cl3N3O3
XLogP36.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass465.041375 g/mol
Monoisotopic Mass465.041375 g/mol
Topological Polar Surface Area76.4 Ų
Heavy Atom Count30
Formal Charge0
Complexity592
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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