CAS 93609-84-8

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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

CAS 93609-84-8

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 Formula	C₁₈H₁₅NO₃
Molecular Weight	293.3 g/mol
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	293.10519334 g/mol
Monoisotopic Mass	293.10519334 g/mol
Topological Polar Surface Area	55.4 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	453
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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