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CAS 129722-34-5
PharmaCompass
CAS 129722-34-5
Also known as: 129722-34-5, 7-(4-bromobutoxy)-3,4-dihydro-2(1h)-quinolinone, 7-(4-bromobutoxy)-3,4-dihydroquinolin-2(1h)-one, 3,4-dihydro-7-(4-bromobutoxy)-2(1h)-quinolinone, 7-(4-bromo-butoxy)-3,4-dihydro-1h-quinolin-2-one, 7-(4-bromobutoxy)-3,4-dihydro-2-quinolinone
Molecular Formula
C13H16BrNO2
Molecular Weight
298.18  g/mol
InChI Key
URHLNHVYMNBPEO-UHFFFAOYSA-N

1 2D Structure

CAS 129722-34-5

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
7-(4-bromobutoxy)-3,4-dihydro-1H-quinolin-2-one
2.1.2 InChI
InChI=1S/C13H16BrNO2/c14-7-1-2-8-17-11-5-3-10-4-6-13(16)15-12(10)9-11/h3,5,9H,1-2,4,6-8H2,(H,15,16)
2.1.3 InChI Key
URHLNHVYMNBPEO-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CC(=O)NC2=C1C=CC(=C2)OCCCCBr
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 129722-34-5

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

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

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

5. 7-(4-bromo-butoxy)-3,4-dihydro-1h-quinolin-2-one

6. 7-(4-bromobutoxy)-3,4-dihydro-2-quinolinone

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

8. (1h)-7-(4'-bromobutoxy)-3,4-dihydro-2-quinolinone

9. Ak-23665

10. 7-(4-bromobutoxy)-3,4-dihydroquinolinone

11. A1-01685

12. 7-(4-bromobutoxy)-1,2,3,4-tetrahydro-2-oxoquinoline

13. Pubchem6002

14. Acmc-209bh8

15. Schembl8513

16. Qui081

17. Jsp001809

18. Ctk4b6379

19. Dtxsid00441550

20. Molport-003-845-324

21. Urhlnhvymnbpeo-uhfffaoysa-n

22. Bb_sc-4613

23. Bb_sc-04613

24. Cs-d1542

25. Zx-at015842

26. Anw-19146

27. Bbl011057

28. Cb-696

29. Mfcd06658540

30. Stk802231

31. Zinc15919788

32. Akos005622563

33. Ac-8060

34. An-1106

35. Mcule-3647146705

36. Or61174

37. Vq10454

38. Ks-0000008p

39. 7-(4bromobutoxy)-3,4-dihydrocarbostyril

40. Aj-67994

41. As-14609

42. Bc003086

43. Bc600293

44. Br-23665

45. Cj-15246

46. He004443

47. Kb-28307

48. L868

49. Sc-00725

50. Sy023585

51. 7-(4-bromobutoxy) 3,4-dihydrocarbostyril

52. 7-(4-bromobutoxy)-3,4-dihydrocarbostyril

53. Ab0014934

54. Ab1006710

55. Ax8002012

56. Bc4716070

57. Kb-199750

58. Kb-249352

59. St2412486

60. Tc-107891

61. Tl8000708

62. Am20090765

63. B3333

64. Ft-0643115

65. 7-(4-bromobutoxy)-3,4-dihydroquinolin-2-one

66. M-1291

67. 7-(4-bromobutoxy)3,4-dihydro-2(1h)quinolinone

68. 722b345

69. A805968

70. C-18650

71. 7-(4-bromo-butoxy)-3,4-dihydro-1h-quinolin-2one

72. 2(1h)-quinolinone,7-(4-bromobutoxy)-3,4-dihydro-

73. 7-(4-bromanylbutoxy)-3,4-dihydro-1h-quinolin-2-one

74. 7-(4-bromobutoxy)-1,2,3,4-tetrahydroquinolin-2-one

75. F2135-0630

76. 7-(4-bromobutoxy)-1,3,4-trihydroquinolin-2-one

2.3 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 298.18 g/mol
Molecular Formula C13H16BrNO2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass297.036 g/mol
Monoisotopic Mass297.036 g/mol
Topological Polar Surface Area38.3 A^2
Heavy Atom Count17
Formal Charge0
Complexity260
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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