PBT2

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Also known as: Pbt-1033, 747408-78-2, 5,7-dichloro-2-[(dimethylamino)methyl]quinolin-8-ol, Pbt-2, Pbt2, Pb 1033

Molecular Formula

C₁₂H₁₂Cl₂N₂O

Molecular Weight

271.14 g/mol

InChI Key

YZPOQCQXOSEMAZ-UHFFFAOYSA-N

FDA UNII

Q7K6GJQ4O4

1 2D Structure

PBT2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5,7-dichloro-2-[(dimethylamino)methyl]quinolin-8-ol

2.1.2 InChI

InChI=1S/C12H12Cl2N2O/c1-16(2)6-7-3-4-8-9(13)5-10(14)12(17)11(8)15-7/h3-5,17H,6H2,1-2H3

2.1.3 InChI Key

YZPOQCQXOSEMAZ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CN(C)CC1=NC2=C(C=C1)C(=CC(=C2O)Cl)Cl

2.2 Other Identifiers

2.2.1 UNII

Q7K6GJQ4O4

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 5,7-dichloro-2-((dimethylamino)methyl)-8-hydroxyquinoline

2. Pbt2 Compound

2.3.2 Depositor-Supplied Synonyms

1. Pbt-1033

2. 747408-78-2

3. 5,7-dichloro-2-[(dimethylamino)methyl]quinolin-8-ol

4. Pbt-2

5. Pbt2

6. Pb 1033

7. Q7k6gjq4o4

8. Pbt 1033

9. Pbt2 Compound

10. 5,7-dichloro-2-((dimethylamino)methyl)quinolin-8-ol

11. Pbt 2

12. Pbt 2 (anti-alzheimer Agent)

13. Unii-q7k6gjq4o4

14. 1123760-88-2

15. 5,7-dichloro-2-(dimethylaminomethyl)quinolin-8-ol

16. Schembl8342589

17. Chembl3634131

18. Gtpl11108

19. Pbt1033

20. Dtxsid701029571

21. Bcp19805

22. Ex-a4581

23. Mfcd30749371

24. Akos037644486

25. Db05565

26. As-53797

27. Hy-105321

28. Cs-0025730

29. P17129

30. 5,7-dichloro-2-(dimethylaminomethyl)-8-quinolinol

31. Q7118446

32. 5,7-dichloro-2-[(dimethylamino)methyl]-8-quinolinol

33. Pbt-2; Pbt1033; Pbt2; Pbt 1033; Pbt 2

2.4 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₁₂Cl₂N₂O
Molecular Weight	271.14 g/mol
XLogP3	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	270.0326684 g/mol
Monoisotopic Mass	270.0326684 g/mol
Topological Polar Surface Area	36.4 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	265
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	1