CAS 129722-34-5

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Also known as: 129722-34-5, 3,4-dihydro-7-(4-bromobutoxy)-2(1h)-quinolinone, 7-(4-bromobutoxy)-3,4-dihydro-2(1h)-quinolinone, 7-(4-bromo-butoxy)-3,4-dihydro-1h-quinolin-2-one, 7-(4-bromobutoxy)-3,4-dihydro-2-quinolinone, 7-(4-bromobutoxy)-3,4-dihydro-1h-quinolin-2-one

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

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

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

5. 7-(4-bromobutoxy)-3,4-dihydro-2-quinolinone

6. 7-(4-bromobutoxy)-3,4-dihydro-1h-quinolin-2-one

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

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

9. 7-(4-bromobutoxy)-3,4-dihydroquinolinone

10. 7-(4-bromobutoxy)-3,4-dihydroquinolin-2-one

11. Mfcd06658540

12. 7-(4-bromobutoxy)-2(1h)-3,4-dihydroquinolinone

13. Aripiprazole Impurity

14. Aripiprazole Intermediates

15. Schembl8513

16. 7-(4-bromobutoxy)-1,2,3,4-tetrahydro-2-oxoquinoline

17. Dtxsid00441550

18. Bcp08864

19. Cs-d1542

20. Bbl011057

21. Stk802231

22. Zinc15919788

23. Akos005622563

24. Ac-8060

25. Sb32672

26. 7-(4-bromobutoxy)-3,4-dihydroquinolin-

27. 7-(4bromobutoxy)-3,4-dihydrocarbostyril

28. Aripiprazole Bromobutoxyquinoline Impurity

29. As-14609

30. Sy023585

31. 7-(4-bromobutoxy) 3,4-dihydrocarbostyril

32. 7-(4-bromobutoxy)-3,4-dihydrocarbostyril

33. Db-017885

34. Am20090765

35. B3333

36. Ft-0643115

37. 722b345

38. A805968

39. 7-(4-bromo-butoxy)-3,4-dihydro-1h-quinolin-2one

40. A1-01685

41. 7-(4-bromobutoxy)-1,2,3,4-tetrahydroquinolin-2-one

42. 7-(4-bromobutoxy)-3,4-dihydroquinolin-2-one-[d8]

43. 7-(4-bromobutoxy)-1,2,3,4-tetrahydroquinoline-2-one

44. F2135-0630

45. 7-(4-bromobutoxy)-3,4-dihydro-1h-quinolin-2-one;7-(4-bromobutoxy)-3,4-dihydroquinolin-2(1h)-one

46. 7-(4-bromobutoxy)-3,4-dihydroquinolin-2-one; 3,4-dihydro-7-(4-bromobutoxy)-2(1h)-quinolinone; 7-(4-bromobutoxy)-3,4-dihydroquinolin-2(1h)-one

2.3 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₁₆BrNO₂
Molecular Weight	298.18 g/mol
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	297.03644 g/mol
Monoisotopic Mass	297.03644 g/mol
Topological Polar Surface Area	38.3 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	260
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