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2D Structure
Also known as: 93609-84-8, 5-acetyl-8-phenylmethoxy-1h-quinolin-2-one, 5-acetyl-8-benzyloxy-1h-quinolin-2-one, 2(1h)-quinolinone, 5-acetyl-8-(phenylmethoxy)-, Mfcd19381743, 5-acetyl-8-(phenylmethoxy)-2-quinolinone
Molecular Formula
C18H15NO3
Molecular Weight
293.3  g/mol
InChI Key
MVYPGJMOODJFAZ-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
5-acetyl-8-phenylmethoxy-1H-quinolin-2-one
2.1.2 InChI
InChI=1S/C18H15NO3/c1-12(20)14-7-9-16(18-15(14)8-10-17(21)19-18)22-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,19,21)
2.1.3 InChI Key
MVYPGJMOODJFAZ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(=O)C1=C2C=CC(=O)NC2=C(C=C1)OCC3=CC=CC=C3
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 93609-84-8

2. 5-acetyl-8-phenylmethoxy-1h-quinolin-2-one

3. 5-acetyl-8-benzyloxy-1h-quinolin-2-one

4. 2(1h)-quinolinone, 5-acetyl-8-(phenylmethoxy)-

5. Mfcd19381743

6. 5-acetyl-8-(phenylmethoxy)-2-quinolinone

7. Schembl98338

8. 5-acetyl-8-benzyloxycarbostyril

9. Dtxsid80538654

10. 5-acetyl-8-(benzyloxy)carbostyril

11. Amy32410

12. Zinc39628210

13. Akos015991346

14. Df-0726

15. Sb71448

16. 5-acetyl-8-benzyloxyquinolin-2(1h)-one

17. 5-acetyl-8-benzyloxy-2(1h)-quinolinone

18. Ac-27669

19. Sy061038

20. 5-acetyl-8 -benzyloxy-1h-quinolin-2-one

21. 5-acetyl-8-benzyloxyquinoline-2(1h)-one

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

23. Cs-0155086

24. Ft-0661350

25. I11611

26. 8-(phenylmethoxy)-5-acetyl-(1h)-quinolin-2-one

27. A855355

28. J-516626

2.3 Create Date
2007-02-08
3 Chemical and Physical Properties
Molecular Weight 293.3 g/mol
Molecular Formula C18H15NO3
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass293.10519334 g/mol
Monoisotopic Mass293.10519334 g/mol
Topological Polar Surface Area55.4 Ų
Heavy Atom Count22
Formal Charge0
Complexity453
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1