Halquinols

Synopsis, Chemistry

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Also known as: Sq 16,401, 5-chloroquinolin-8-ol;7-chloroquinolin-8-ol;5,7-dichloroquinolin-8-ol, Tarquinor, 8-quinolinol, 5,7-dichloro-, mixt. with 5-chloro-8-quinolinol and 7-chloro-8-quinolinol, Halquinols [usan], Unii-z7z4bx535u

Molecular Formula

C₂₇H₁₇Cl₄N₃O₃

Molecular Weight

573.2 g/mol

InChI Key

XCQBENAYFZFNAR-UHFFFAOYSA-N

1 2D Structure

Halquinols

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-chloroquinolin-8-ol;7-chloroquinolin-8-ol;5,7-dichloroquinolin-8-ol

2.1.2 InChI

InChI=1S/C9H5Cl2NO.2C9H6ClNO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8;10-7-3-4-8(12)9-6(7)2-1-5-11-9;10-7-4-3-6-2-1-5-11-8(6)9(7)12/h1-4,13H;2*1-5,12H

2.1.3 InChI Key

XCQBENAYFZFNAR-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC2=C(C(=C(C=C2)Cl)O)N=C1.C1=CC2=C(C=CC(=C2N=C1)O)Cl.C1=CC2=C(C(=C(C=C2Cl)Cl)O)N=C1

2.2 Synonyms

2.2.1 MeSH Synonyms

1. Chlorhydroxyquinoline

2. Halquinol

2.2.2 Depositor-Supplied Synonyms

1. Sq 16,401

2. 5-chloroquinolin-8-ol;7-chloroquinolin-8-ol;5,7-dichloroquinolin-8-ol

3. Tarquinor

4. 8-quinolinol, 5,7-dichloro-, Mixt. With 5-chloro-8-quinolinol And 7-chloro-8-quinolinol

5. Halquinols [usan]

6. Unii-z7z4bx535u

7. Z7z4bx535u

8. Chembl3833358

9. Dtxsid90230490

10. Mfcd28978222

11. 5-chloroquinolin-8-ol; 7-chloroquinolin-8-ol; 5,7-dichloroquinolin-8-ol

12. 5,7-dichloro-8-quinolinol Mixt. With 5-chloro-8-quinolinol And 7-chloro-8-quinolinol

13. 5,7-dichloro-8-quinolinol, 5-chloro-8-quinolinol, And 7-chloro-8-quinolinol In Proportions Resulting Naturally From Chlorination Of 8-quinolinol

14. Sq-16401

15. Sy272205

16. So 16,401

17. Ft-0626854

18. A839963

19. 5,7-dichloro-8-quinolino & 5-chloro-8-quinolino & 7-chloro-8-quinnolinol

20. 5-chloro-8-quinolinol; 7-chloro-8-quinolinol; 5,7-dichloro-8-quinolinol

21. 5,7-bis(chloranyl)quinolin-8-ol; 5-chloranylquinolin-8-ol; 7-chloranylquinolin-8-ol

2.3 Create Date

2005-08-01

3 Chemical and Physical Properties

Molecular Formula	C₂₇H₁₇Cl₄N₃O₃
Molecular Weight	573.2 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	0
Exact Mass	572.999452 g/mol
Monoisotopic Mass	571.002402 g/mol
Topological Polar Surface Area	99.4 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	520
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	3