CAS 611-36-9

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Also known as: Quinolin-4-ol, 611-36-9, 4-quinolinol, Quinolin-4(1h)-one, 529-37-3, 4(1h)-quinolinone

Molecular Formula

C₉H₇NO

Molecular Weight

145.16 g/mol

InChI Key

PMZDQRJGMBOQBF-UHFFFAOYSA-N

FDA UNII

M1O131WXFO

4(1H)-quinolinone is a natural product found in Glycosmis parviflora and Glycosmis citrifolia with data available.

1 2D Structure

CAS 611-36-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1H-quinolin-4-one

2.1.2 InChI

InChI=1S/C9H7NO/c11-9-5-6-10-8-4-2-1-3-7(8)9/h1-6H,(H,10,11)

2.1.3 InChI Key

PMZDQRJGMBOQBF-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C2C(=C1)C(=O)C=CN2

2.2 Other Identifiers

2.2.1 UNII

M1O131WXFO

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Quinolin-4-ol

2. 611-36-9

3. 4-quinolinol

4. Quinolin-4(1h)-one

5. 529-37-3

6. 4(1h)-quinolinone

7. Kynurine

8. 1h-quinolin-4-one

9. 4-quinolone

10. Quinoline, 4-hydroxy-

11. 4-hydroxy Quinoline

12. Mfcd00006777

13. Ccris 4329

14. 4-chinolinol

15. Nsc 3183

16. 1,4-dihydroquinolin-4-one

17. Mfcd00956391

18. M1o131wxfo

19. Chebi:15815

20. Nsc-3183

21. 4-oxoquinoline

22. Einecs 210-268-2

23. Unii-m1o131wxfo

24. Brn 1524969

25. 3kpu

26. 1h-quinoline-4one

27. 4(1h)-quinolone

28. 4-hydroxy-quinoline

29. 4-oxo-1,4-dihydroquinoline

30. 4-quinolinol, 98%

31. Quinolin-4(1h);-one

32. Oprea1_521432

33. Schembl10031

34. 4-quinolinol (8ci,9ci)

35. Hydroxyquinoline, 4-

36. Chembl1232567

37. Bdbm14321

38. Dtxsid50209980

39. Nsc3183

40. Chebi:155900

41. Kuc100207n

42. Act01927

43. Bcp27058

44. Cs-d1012

45. Zinc8579890

46. Ab4075

47. Ac-516

48. Kuc100207

49. Nsc263800

50. Stl129466

51. Stl445698

52. Akos000277429

53. Akos005738113

54. 4,5-dichloro-3-thiophenecarboxylicacid

55. Am81187

56. Nsc-263800

57. Pb43148

58. Sb67475

59. As-10846

60. Da-05172

61. Hy-59208

62. Sy002846

63. Sy105850

64. Db-031602

65. Am20061372

66. Eu-0033653

67. Ft-0618750

68. Ft-0712331

69. Q0029

70. En300-54449

71. C06343

72. 529h373

73. J-512661

74. J-650306

75. W-105189

76. Q27098240

77. F0266-1090

78. Z818727120

2.4 Create Date

2004-09-16

3 Chemical and Physical Properties

Molecular Formula	C₉H₇NO
Molecular Weight	145.16 g/mol
XLogP3	0.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	145.052763847 g/mol
Monoisotopic Mass	145.052763847 g/mol
Topological Polar Surface Area	29.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	198
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