CAS 5263-87-6

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Also known as: 5263-87-6, Quinoline, 6-methoxy-, 6-methoxy-quinoline, P-quinanisole, Methyl 6-quinolyl ether, Mfcd00006800

Molecular Formula

C₁₀H₉NO

Molecular Weight

159.18 g/mol

InChI Key

HFDLDPJYCIEXJP-UHFFFAOYSA-N

FDA UNII

5S1U3125AD

1 2D Structure

CAS 5263-87-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

6-methoxyquinoline

2.1.2 InChI

InChI=1S/C10H9NO/c1-12-9-4-5-10-8(7-9)3-2-6-11-10/h2-7H,1H3

2.1.3 InChI Key

HFDLDPJYCIEXJP-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=CC2=C(C=C1)N=CC=C2

2.2 Other Identifiers

2.2.1 UNII

5S1U3125AD

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 6-methoxyquinoline Hydrochloride

2.3.2 Depositor-Supplied Synonyms

1. 5263-87-6

2. Quinoline, 6-methoxy-

3. 6-methoxy-quinoline

4. P-quinanisole

5. Methyl 6-quinolyl Ether

6. Mfcd00006800

7. Nsc 1954

8. Chembl15200

9. Chebi:72822

10. 5s1u3125ad

11. Nsc-1954

12. Unii-5s1u3125ad

13. 6-methoxyquinolin

14. 6-methoxy Quinoline

15. Einecs 226-077-2

16. Ai3-16316

17. 6-methoxyquinoline, 98%

18. Schembl219324

19. Wln: T66 Bnj Ho1

20. Dtxsid9063746

21. Fema No. 4640

22. Schembl12015264

23. Nsc1954

24. Amy21891

25. Str09836

26. Bdbm50047014

27. Akos000121104

28. Cs-w017948

29. Fs-3598

30. Hy-w017232

31. Sb67501

32. Ac-18179

33. Ac-37038

34. Sy012831

35. Ft-0621202

36. M0891

37. En300-23867

38. A26233

39. H10211

40. W-105808

41. Q27140168

42. Z166628264

43. Inchi=1/c10h9no/c1-12-9-4-5-10-8(7-9)3-2-6-11-10/h2-7h,1h

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₉NO
Molecular Weight	159.18 g/mol
XLogP3	2.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	22.1
Heavy Atom Count	12
Formal Charge	0
Complexity	149
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