CAS 86-95-3

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Also known as: 2,4-dihydroxyquinoline, 86-95-3, 4-hydroxyquinolin-2(1h)-one, Quinoline-2,4-diol, 2-hydroxyquinolin-4(1h)-one, 4-hydroxy-2-quinolone

Molecular Formula

C₉H₇NO₂

Molecular Weight

161.16 g/mol

InChI Key

HDHQZCHIXUUSMK-UHFFFAOYSA-N

FDA UNII

N58HX8G9CN

2,4-Quinolinediol is a natural product found in Haplophyllum bucharicum and Penicillium citrinum with data available.

1 2D Structure

CAS 86-95-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-hydroxy-1H-quinolin-2-one

2.1.2 InChI

InChI=1S/C9H7NO2/c11-8-5-9(12)10-7-4-2-1-3-6(7)8/h1-5H,(H2,10,11,12)

2.1.3 InChI Key

HDHQZCHIXUUSMK-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C2C(=C1)C(=CC(=O)N2)O

2.2 Other Identifiers

2.2.1 UNII

N58HX8G9CN

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 2,4-dihydroxyquinoline

2. Dhq Quinolinol

2.3.2 Depositor-Supplied Synonyms

1. 2,4-dihydroxyquinoline

2. 86-95-3

3. 4-hydroxyquinolin-2(1h)-one

4. Quinoline-2,4-diol

5. 2-hydroxyquinolin-4(1h)-one

6. 4-hydroxy-2-quinolone

7. 4-hydroxycarbostyril

8. 70254-44-3

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

10. 4-hydroxy-2-quinolinone

11. Hydroxycarbostyril

12. 2-hydroxy-1h-quinolin-4-one

13. Carbostyril, 4-hydroxy-

14. 70254-43-2

15. 4-hydroxy-2(1h)-quinolone

16. Nsc 12465

17. 4-hydroxy-1,2-dihydroquinolin-2-one

18. 4-hydroxy-1h-quinolin-2-one

19. 2.4-quinolinediol

20. N58hx8g9cn

21. 2-hydroxy-4(1h)-quinolone

22. Chebi:75926

23. Mfcd00006744

24. Nsc-12465

25. Nsc-13962

26. 4-hydroxycarbostyril; 4-hydroxyquinolin-2(1h)-one; 4-hydroxyquinoline-2(1h)-one; Nsc 13962

27. Nsc89729

28. 2,4-dihydroxy Quinoline

29. Einecs 201-711-0

30. Dihydroxyquinoine

31. Dhq Quinolinol

32. 4(1h)-quinolinone, 2-hydroxy-

33. Nsc13962

34. 2,4-quinolinediol-

35. 4-hydroxy Quinolinone

36. 2(1h)-quinolinone, 4-hydroxy

37. 2.4-dihydroxy Quinoline

38. 4-hydroxyquinolin-2-one

39. Maybridge1_006493

40. 2, 4-dihydroxyquinoline-

41. Unii-n58hx8g9cn

42. 2,4-quinolinediol, 97%

43. Oprea1_337514

44. Oprea1_706175

45. Schembl64767

46. Mls000716246

47. 4-hydroxy-2(1h)-quinolinone

48. 4-hydroxy-2(l H)-quinolinone

49. Chembl223449

50. 4-hydroxy-quinolin-2(1h)-one

51. Dtxsid8058950

52. Hms559p03

53. 4-hydroxy-2(1h)-quinolinone #

54. Hms1693d10

55. Hms2653o04

56. Bcp32971

57. Hy-y1685

58. Nsc12465

59. Am1202

60. Mfcd00277932

61. Mfcd18836846

62. 2,4-quinolinediol (mainly Keto Form)

63. Akos000115761

64. Akos000265236

65. 4-hydroxyquinoline-2(1h)-one

66. Cs-w020079

67. Ps-4409

68. Sb67441

69. Sb67447

70. Ncgc00245100-01

71. 2, 4-dihydroxyquinoline, Monosodium Salt

72. Ac-22550

73. Smr000277763

74. Sy037068

75. Ts-02141

76. 4-hydroxyquinolin-2(1h)-one, Aldrichcpr

77. Cs-0166937

78. D1753

79. Ft-0610128

80. Ns00014678

81. En300-03079

82. O10804

83. Ab00979379-01

84. A841886

85. Ac-907/25014240

86. J-650187

87. W-104050

88. Q27145638

89. Z56781882

90. F0722-1485

91. 2,4-dihydroxyquinoline;4-hydroxyquinolin-2(1h)-one;quinoline-2,4-diol

2.4 Create Date

2011-12-26

3 Chemical and Physical Properties

Molecular Formula	C₉H₇NO₂
Molecular Weight	161.16 g/mol
XLogP3	0.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	49.3
Heavy Atom Count	12
Formal Charge	0
Complexity	235
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