CAS 15733-89-8

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Also known as: 15733-89-8, 84906-81-0, 2-oxo-1,2-dihydroquinoline-4-carboxylic acid, 2-hydroxycinchoninic acid, 2-hydroxy-4-quinolincarboxylic acid, 2-oxo-1h-quinoline-4-carboxylic acid

Molecular Formula

C₁₀H₇NO₃

Molecular Weight

189.17 g/mol

InChI Key

MFSHNFBQNVGXJX-UHFFFAOYSA-N

FDA UNII

Z1Q2K479UQ

2-hydroxycinchoninic acid is a natural product found in Papaver somniferum with data available.

1 2D Structure

CAS 15733-89-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-oxo-1H-quinoline-4-carboxylic acid

2.1.2 InChI

InChI=1S/C10H7NO3/c12-9-5-7(10(13)14)6-3-1-2-4-8(6)11-9/h1-5H,(H,11,12)(H,13,14)

2.1.3 InChI Key

MFSHNFBQNVGXJX-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

2.2 Other Identifiers

2.2.1 UNII

Z1Q2K479UQ

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 15733-89-8

2. 84906-81-0

3. 2-oxo-1,2-dihydroquinoline-4-carboxylic Acid

4. 2-hydroxycinchoninic Acid

5. 2-hydroxy-4-quinolincarboxylic Acid

6. 2-oxo-1h-quinoline-4-carboxylic Acid

7. 4-carboxycarbostyril

8. Cinchoninic Acid, 2-hydroxy-

9. 4-quinolinecarboxylic Acid, 1,2-dihydro-2-oxo-

10. 1,2-dihydro-2-oxoquinoline-4-carboxylic Acid

11. 2-oxocinchoninic Acid

12. 2-hydroxy-4-quinolinecarboxylic Acid

13. Cinchocaine Impurity B

14. 2-hydroxyquinoline-4-carboxylicacid

15. 2-hydroxy-quinoline-4-carboxylic Acid

16. 4-quinolinecarboxylic Acid, 2-hydroxy-

17. Mfcd00023942

18. Z1q2k479uq

19. Chebi:52045

20. 1,2-dihydro-2-oxo-4-quinolinecarboxylic Acid

21. 2-oxo-4-quinolinecarboxylic Acid

22. Nsc-3564

23. Einecs 239-827-9

24. Unii-z1q2k479uq

25. Ai3-61768

26. Enamine_001230

27. Cambridge Id 5133898

28. Oprea1_034107

29. Schembl662652

30. Iflab1_001493

31. Schembl8729784

32. Chembl2048387

33. Mfshnfbqnvgxjx-uhfffaoysa-

34. Dtxsid40166250

35. Nsc3564

36. Hms1397h20

37. Hms1416d19

38. Act06764

39. Albb-010502

40. Bcp28536

41. Ccg-1662

42. Nsc 3564

43. Zinc8579968

44. Bbl008901

45. Mfcd00464512

46. Stk078430

47. Stk709494

48. Iflab-bb F1918-0080

49. 2-hydroxyquinolinecarboxylic Acid-(4)

50. Akos000104068

51. Akos000266346

52. 2(1h)-oxoquinoline-4-carboxylic Acid

53. Ac-1861

54. Ccg-104483

55. Cs-w015953

56. Sb67443

57. Sdccgmls-0065426.p001

58. Ncgc00246893-01

59. Ac-23085

60. As-12503

61. Sy020050

62. Quinoline-4-carboxylic Acid, 2(1h)-oxo-

63. 2-hydroxyquinoline-4-carboxylic Acid, 97%

64. Db-012013

65. Am20070290

66. Bb 0221218

67. Bb 0221230

68. Eu-0001998

69. Ft-0612590

70. Ft-0612638

71. Ft-0648864

72. H1016

73. 2-oxo-1,2-dihydro-4-quinolinecarboxylic Acid

74. En300-00825

75. 2-oxidanylidene-1h-quinoline-4-carboxylic Acid

76. 2-oxo-1,2-dihydro-quinoline-4-carboxylic Acid

77. 33h898

78. D78174

79. 2-oxo-1,2-dihydro-4-quinolinecarboxylic Acid #

80. 733o898

81. A809841

82. A841008

83. Sr-01000403999

84. Sr-01000597059

85. Sr-01000403999-1

86. Sr-01000597059-1

87. Sr-01000597059-2

88. W-108003

89. Q27123129

90. F0346-1608

91. 2-oxo-1,2-dihydroquinoline-4-carboxylic Acid, Aldrichcpr

92. Cinchocaine Hydrochloride Impurity B [ep Impurity]

93. Cinchocaine Hydrochloride Imp. B (ep): 2-hydroxyquinoline-4-

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₇NO₃
Molecular Weight	189.17 g/mol
XLogP3	0.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	189.042593085 g/mol
Monoisotopic Mass	189.042593085 g/mol
Topological Polar Surface Area	66.4 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	309
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