CAS 51781-14-7

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Chemistry

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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

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 Formula	C₁₂H₁₃NO₃
Molecular Weight	219.24 g/mol
XLogP3	0.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	219.08954328 g/mol
Monoisotopic Mass	219.08954328 g/mol
Topological Polar Surface Area	50.9 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	281
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1