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CAS 173140-90-4
PharmaCompass
CAS 173140-90-4
Also known as: 173140-90-4, (r)-8-(benzyloxy)-5-(oxiran-2-yl)quinolin-2(1h)-one, 2(1h)-quinolinone, 5-(2r)-oxiranyl-8-(phenylmethoxy)-, 5-(2r)-2-oxiranyl-8-benzyloxy-2(1h)-quinolinone, 8-(benzyloxy)-5-[(2r)-oxiran-2-yl]quinolin-2(1h)-one, Schembl866306
Molecular Formula
C18H15NO3
Molecular Weight
293.322  g/mol
InChI Key
IHJYYLJZVBVLEK-INIZCTEOSA-N

1 2D Structure

CAS 173140-90-4

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
5-[(2R)-oxiran-2-yl]-8-phenylmethoxy-1H-quinolin-2-one
2.1.2 InChI
InChI=1S/C18H15NO3/c20-17-9-7-14-13(16-11-22-16)6-8-15(18(14)19-17)21-10-12-4-2-1-3-5-12/h1-9,16H,10-11H2,(H,19,20)/t16-/m0/s1
2.1.3 InChI Key
IHJYYLJZVBVLEK-INIZCTEOSA-N
2.1.4 Canonical SMILES
C1C(O1)C2=C3C=CC(=O)NC3=C(C=C2)OCC4=CC=CC=C4
2.1.5 Isomeric SMILES
C1[C@H](O1)C2=C3C=CC(=O)NC3=C(C=C2)OCC4=CC=CC=C4
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 173140-90-4

2. (r)-8-(benzyloxy)-5-(oxiran-2-yl)quinolin-2(1h)-one

3. 2(1h)-quinolinone, 5-(2r)-oxiranyl-8-(phenylmethoxy)-

4. 5-(2r)-2-oxiranyl-8-benzyloxy-2(1h)-quinolinone

5. 8-(benzyloxy)-5-[(2r)-oxiran-2-yl]quinolin-2(1h)-one

6. Schembl866306

7. Ctk0e4370

8. Ks-00000ziw

9. Dtxsid90465922

10. Molport-023-279-106

11. Anw-53409

12. Zinc34183595

13. (r)-8-benzyloxy-5-oxiranylcarbostyril

14. Akos015999467

15. Ak-93362

16. He263860

17. Sc-17813

18. Ft-0686955

19. X6202

20. 8-(benzyloxy)-5-[(2r)-oxiran-2-yl]-1,2-dihydroquinolin-2-one

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 293.322 g/mol
Molecular Formula C18H15NO3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass293.105 g/mol
Monoisotopic Mass293.105 g/mol
Topological Polar Surface Area50.9 A^2
Heavy Atom Count22
Formal Charge0
Complexity444
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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