CAS 22246-18-0

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Chemistry

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Also known as: 22246-18-0, 7-hydroxy-3,4-dihydroquinolin-2(1h)-one, 7-hydroxy-3,4-dihydro-2(1h)-quinolinone, 7-hydroxy-3,4-dihydro-1h-quinolin-2-one, 3,4-dihydro-7-hydroxycarbostyril, 7-hydroxy-3,4-dihydrocarbostyril

Molecular Formula

C₉H₉NO₂

Molecular Weight

163.17 g/mol

InChI Key

LKLSFDWYIBUGNT-UHFFFAOYSA-N

FDA UNII

VFU6XCR3Q3

1 2D Structure

CAS 22246-18-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

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

2.1.2 InChI

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

2.1.3 InChI Key

LKLSFDWYIBUGNT-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

2.2 Other Identifiers

2.2.1 UNII

VFU6XCR3Q3

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 22246-18-0

2. 7-hydroxy-3,4-dihydroquinolin-2(1h)-one

3. 7-hydroxy-3,4-dihydro-2(1h)-quinolinone

4. 7-hydroxy-3,4-dihydro-1h-quinolin-2-one

5. 3,4-dihydro-7-hydroxycarbostyril

6. 7-hydroxy-3,4-dihydrocarbostyril

7. 7-hydroxy-3,4-dihydro-quinolin-2-one

8. 3,4-dihydroquinoline-2,7-diol

9. 2(1h)-quinolinone, 3,4-dihydro-7-hydroxy-

10. Vfu6xcr3q3

11. Chembl2430711

12. Mfcd06410891

13. 3,4-dihydro-7-hydroxy-2(1h)-quinoline

14. 3,4-dihydro-7-hydroxyquinoline-2(1h)-one

15. 7-hydroxy-1,2,3,4-tetrahydroquinolin-2-one

16. 7-oxidanyl-3,4-dihydro-1~{h}-quinolin-2-one

17. 7-hydroxy-3,4-dihydro Carbostyril

18. Unii-vfu6xcr3q3

19. Aripiprazole Impurity 13

20. Aripiprazole Ep Impurity A

21. Schembl8751

22. Aripiprazole Impurity A [ep]

23. Dtxsid70382941

24. 7-hydroxy-3,4-dihydro-carbostyril

25. Bcp27862

26. Zinc3957997

27. Bbl011056

28. Bdbm50493470

29. S4767

30. Stk617335

31. Stk802230

32. Akos005551353

33. Akos005622540

34. Ab25068

35. Ac-7028

36. Ccg-266302

37. Cs-w010846

38. Fd18013

39. Gf-0122

40. Hy-w010130

41. Sy009657

42. 7-hydroxy-3,4-dihydro-1h-quinoline-2-one

43. 7-hydroxy-3,4-dihydro-2(1h)-quinolineone

44. 7-hydroxy-3,4-dihydro-quinolin-2(1h)-one

45. Am20060553

46. Aripiprazole Impurity A [ep Impurity]

47. D3599

48. Ft-0601230

49. 1,2,3,4-tetrahydroquinoline -7 -ol-2-one

50. 7-(hydroxyl)-3,4-dihydroquinolin-2(1h)-one

51. 7-hydroxy-1,2,3,4-tetrahydroquinoline-2-one

52. 7-hydroxy-2-oxo-1,2,3,4-tetrahydroquinoline

53. 246h180

54. 3,4-dihydro-7-hydroxyquinolin-2(1h)-one

55. 3,4-dihydro-7-hydroxyquinoline-2(1h)-one-[d6]

56. 7-hydroxy-3,4-dihydro-2(1h)-quinolinone, 97%

57. A816050

58. J-511190

59. 7-hydroxy-3,4-dihydroquinolin-2(1h)-one;7-hydroxy-3,4-dihydro Carbostyril;7-hydroxy-3,4-dihydro-2(1h)-quinolinone;7-hydroxy-2-oxo-1,2,3,4-tetrahydroquinoline;

60. 8hj

61. Aripiprazole Dihydro Quinolinone Impurity (usp); 7-hydroxycarbostyril; 3,4-dihydro-7-hydroxy-2(1h)-quinolinone; 7-hydroxy-3,4-dihydroquinolin-2(1h)-one

2.4 Create Date

2005-07-19

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