CAS 30389-33-4

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2 End Use APIs
2 Related Intermediates

Chemistry

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Also known as: 30389-33-4, 5-hydroxy-3,4-dihydro-2(1h)-quinolinone, 5-hydroxy-3,4-dihydro-1h-quinolin-2-one, 2(1h)-quinolinone, 3,4-dihydro-5-hydroxy-, 3,4-dihydro-5-hydroxy-2(1h)-quinolinone, 3,4-dihydro-5-hydroxy-1h-quinolin-2-one

Molecular Formula

C₉H₉NO₂

Molecular Weight

163.17 g/mol

InChI Key

UTTJAIFHRUAFED-UHFFFAOYSA-N

FDA UNII

BH76UU379C

1 2D Structure

CAS 30389-33-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-hydroxy-3,4-dihydro-1H-quinolin-2-one

2.1.2 InChI

InChI=1S/C9H9NO2/c11-8-3-1-2-7-6(8)4-5-9(12)10-7/h1-3,11H,4-5H2,(H,10,12)

2.1.3 InChI Key

UTTJAIFHRUAFED-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CC(=O)NC2=C1C(=CC=C2)O

2.2 Other Identifiers

2.2.1 UNII

BH76UU379C

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 30389-33-4

2. 5-hydroxy-3,4-dihydro-2(1h)-quinolinone

3. 5-hydroxy-3,4-dihydro-1h-quinolin-2-one

4. 2(1h)-quinolinone, 3,4-dihydro-5-hydroxy-

5. 3,4-dihydro-5-hydroxy-2(1h)-quinolinone

6. 3,4-dihydro-5-hydroxy-1h-quinolin-2-one

7. 5-hydroxy-3,4-dihydrocarbostyril

8. Mfcd01862194

9. 3,4-dihydro-5-hydroxyquinolin-2(1h)-one

10. Bh76uu379c

11. 3,4-dihydro-5-hydroxycarbostyril

12. 5-hydroxy-1,2,3,4-tetrahydro-2-quinolinone

13. 5-hydroxy-3,4-dihydro-2-quinoline

14. 5-hydroxydihydro-carbostyril

15. Unii-bh76uu379c

16. Schembl98299

17. Carteolol Hcl Ep Impurity B

18. Dtxsid20184472

19. Hydroxy-3,4-dihydro-2-quinoline

20. Chebi:183892

21. 5-hydroxy-3,4-dihydro-carbostyril

22. Amy40276

23. Bcp13339

24. Zinc6093821

25. Ac-947

26. Akos005255259

27. Ds-15129

28. Sy104338

29. Db-008261

30. Cs-0059153

31. D5669

32. Ft-0657926

33. 5-hydroxy-1,2,3,4-tetrahydroquinolin-2-one

34. A22238

35. 389h334

36. J-517603

37. Carteolol Hydrochloride Impurity B [ep Impurity]

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₉H₉NO₂
Molecular Weight	163.17 g/mol
XLogP3	0.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	163.063328530 g/mol
Monoisotopic Mass	163.063328530 g/mol
Topological Polar Surface Area	49.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	193
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