1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-acetyl-8-hydroxy-1H-quinolin-2-one

2.1.2 InChI

InChI=1S/C11H9NO3/c1-6(13)7-2-4-9(14)11-8(7)3-5-10(15)12-11/h2-5,14H,1H3,(H,12,15)

2.1.3 InChI Key

PJVZAXRWCFBQFH-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(=O)C1=C2C=CC(=O)NC2=C(C=C1)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 62978-73-8

2. 5-acetyl-8-hydroxyquinolin-2(1h)-one

3. 5-acetyl-quinoline-2,8-diol

4. 5-acetyl-8-hydroxy-1,2-dihydroquinolin-2-one

5. 5-acetyl-8-hydroxy-2(1h)-quinolinone

6. 1-(2,8-dihydroxyquinolin-5-yl)ethanone

7. 5-acetyl-8-hydroxy-2(h)-quinolinone

8. Schembl99398

9. 5-acetylquinoline-2,8-diol

10. 5-acetyl-8-hydroxycarbostyril

11. Boc-d-glutamicacid1-benzylester

12. Chembl4067630

13. 5-acetyl-8-hydroxy-2-quinolone

14. Dtxsid50475168

15. Pjvzaxrwcfbqfh-uhfffaoysa-n

16. Amy16080

17. Mfcd08061148

18. Akos015991345

19. Ac-9102

20. Df-0723

21. Sb69366

22. 5-acetyl-8-hydroxy-(1h)-quinolin-2-one

23. 5-acetyl-quinoline-2,8-diol, Aldrichcpr

24. Cs-0054948

25. Ft-0647962

26. A13896

27. J-516627

2.3 Create Date

2007-01-10

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₉NO₃
Molecular Weight	203.19 g/mol
XLogP3	0.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	66.4
Heavy Atom Count	15
Formal Charge	0
Complexity	324
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

62978-73-8

62978-73-8

CHEMISTRY

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