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Also known as: 51781-14-7, 5-(oxiran-2-ylmethoxy)-3,4-dihydro-1h-quinolin-2-one, 2wa9zp4g9y, 3,4-dihydro-5-(2-oxiranylmethoxy)-2(1h)-quinolinone, 5-(oxiran-2-ylmethoxy)-3,4-dihydroquinolin-2(1h)-one, 2(1h)-quinolinone, 3,4-dihydro-5-(2-oxiranylmethoxy)-
Molecular Formula
C12H13NO3
Molecular Weight
219.24  g/mol
InChI Key
VQTWQOBNPISQPG-UHFFFAOYSA-N
FDA UNII
2WA9ZP4G9Y

CAS 51781-14-7
1 2D Structure

CAS 51781-14-7

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
5-(oxiran-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one
2.1.2 InChI
InChI=1S/C12H13NO3/c14-12-5-4-9-10(13-12)2-1-3-11(9)16-7-8-6-15-8/h1-3,8H,4-7H2,(H,13,14)
2.1.3 InChI Key
VQTWQOBNPISQPG-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CC(=O)NC2=C1C(=CC=C2)OCC3CO3
2.2 Other Identifiers
2.2.1 UNII
2WA9ZP4G9Y
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 51781-14-7

2. 5-(oxiran-2-ylmethoxy)-3,4-dihydro-1h-quinolin-2-one

3. 2wa9zp4g9y

4. 3,4-dihydro-5-(2-oxiranylmethoxy)-2(1h)-quinolinone

5. 5-(oxiran-2-ylmethoxy)-3,4-dihydroquinolin-2(1h)-one

6. 2(1h)-quinolinone, 3,4-dihydro-5-(2-oxiranylmethoxy)-

7. 5-(((2rs)-oxiran-2-yl)methoxy)-3,4-dihydroquinolin-2(1h)-one

8. Starbld0049131

9. Unii-2wa9zp4g9y

10. Carteolol Hcl Ep Impurity C

11. Schembl4902708

12. Schembl8052757

13. Dtxsid30512545

14. Carteolol Hydrochloride Impurity C [ep]

15. Ft-0667929

16. 5-(2,3-epoxy-propoxy)-3,4-dihydro-carbostyril

17. 5-(2,3-epoxypropoxy)-3,4-dihydro-2-quinolinone

18. 1-(3,4-dihydrocarbostyril-5-yloxy)-2,3-epoxypropane

19. 1-(3,4-dihydrocarbostyril-5-yloxy) -2,3-epoxypropane

20. Carteolol Hydrochloride Impurity C [ep Impurity]

21. 5-[(oxiran-2-yl)methoxy]-3,4-dihydroquinolin-2(1h)-one

22. 1-(3,4-dihydro-2-hydroxy-quinolin-5-yloxy)-2,3-epoxypropane

2.4 Create Date
2007-02-08
3 Chemical and Physical Properties
Molecular Weight 219.24 g/mol
Molecular Formula C12H13NO3
XLogP30.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass219.08954328 g/mol
Monoisotopic Mass219.08954328 g/mol
Topological Polar Surface Area50.9 Ų
Heavy Atom Count16
Formal Charge0
Complexity281
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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