CAS 82121-05-9

Chemistry

Chemistry

Also known as: 7-methoxyquinolin-4-ol, 82121-05-9, 7-methoxy-1h-4-quinolinone, 7-methoxy-1h-quinolin-4-one, 7-methoxy-4-quinolinol, 190516-85-9

Molecular Formula

C₁₀H₉NO₂

Molecular Weight

175.18 g/mol

InChI Key

NQUPXNZWBGZRQX-UHFFFAOYSA-N

1 2D Structure

CAS 82121-05-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

7-methoxy-1H-quinolin-4-one

2.1.2 InChI

InChI=1S/C10H9NO2/c1-13-7-2-3-8-9(6-7)11-5-4-10(8)12/h2-6H,1H3,(H,11,12)

2.1.3 InChI Key

NQUPXNZWBGZRQX-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=CC2=C(C=C1)C(=O)C=CN2

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 7-methoxyquinolin-4-ol

2. 82121-05-9

3. 7-methoxy-1h-4-quinolinone

4. 7-methoxy-1h-quinolin-4-one

5. 7-methoxy-4-quinolinol

6. 190516-85-9

7. 7-methoxyquinolin-4(1h)-one

8. 4-quinolinol, 7-methoxy-

9. Mfcd00169015

10. 7-methoxy-quinolin-4-ol

11. 7-methoxyquinoline-4-ol

12. 7-methoxy-4(1h)-quinolone

13. Oprea1_718401

14. Schembl704734

15. 4-hydroxy-7-methoxy-quinoline

16. Chembl163900

17. Amy5433

18. Dtxsid701002480

19. Act01918

20. Albb-021964

21. 4-hydroxy-7-methoxyquinoline, 97%

22. Mfcd11501414

23. Zinc16124986

24. 7-methoxy-1,4-dihydroquinolin-4-one

25. Akos002683713

26. Akos006230117

27. Ab04264

28. Ac-3264

29. Cs-w017458

30. Ps-6049

31. Sb67712

32. Sy004730

33. Sy276702

34. Db-007213

35. Ft-0618672

36. M1966

37. En300-37305

38. 121h082

39. A840253

40. J-650316

41. 7-methoxy-1h-cinnolin-4-one;4-hydroxy-7-methoxyquinoline

2.3 Create Date

2005-07-28

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₉NO₂
Molecular Weight	175.18 g/mol
XLogP3	0.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	175.063328530 g/mol
Monoisotopic Mass	175.063328530 g/mol
Topological Polar Surface Area	38.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	237
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

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CAS 82121-05-9

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