Please Wait
Applying Filters...
Menu
Xls
2D Structure
Also known as: 205448-65-3, Methyl 7-methoxy-4-oxo-1h-quinoline-6-carboxylate, Mfcd13192255, Methyl 4-hydroxy-7-methoxyquinoline-6-carboxylate, 2023826-82-4, 7-methoxy-6-methoxycarbonyl-1,4-dihydroquinolin-4-one
Molecular Formula
C12H11NO4
Molecular Weight
233.22  g/mol
InChI Key
TYKSVPGCVLNVIO-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
methyl 7-methoxy-4-oxo-1H-quinoline-6-carboxylate
2.1.2 InChI
InChI=1S/C12H11NO4/c1-16-11-6-9-7(10(14)3-4-13-9)5-8(11)12(15)17-2/h3-6H,1-2H3,(H,13,14)
2.1.3 InChI Key
TYKSVPGCVLNVIO-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC1=C(C=C2C(=O)C=CNC2=C1)C(=O)OC
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 205448-65-3

2. Methyl 7-methoxy-4-oxo-1h-quinoline-6-carboxylate

3. Mfcd13192255

4. Methyl 4-hydroxy-7-methoxyquinoline-6-carboxylate

5. 2023826-82-4

6. 7-methoxy-6-methoxycarbonyl-1,4-dihydroquinolin-4-one

7. Schembl6436542

8. Schembl21776575

9. Dtxsid901195376

10. Amy40384

11. Bcp14204

12. 1,4-dihydro-7-methoxy-4-oxo-6-quinolinecarboxylic Acid Methyl Ester

13. Zinc78107339

14. Akos025396444

15. Ds-8705

16. Sb71749

17. Ac-29697

18. Sy028903

19. Cs-0041771

20. Methyl4-hydroxy-7-methoxyquinoline-6-carboxylate

21. Methyl 1,4-dihydro-7-methoxy-4-oxo-6-quinolinecarboxylate

22. Methyl7-methoxy-4-oxo-1,4-dihydroquinoline-6-carboxylate

23. 7-methoxy-4-oxo-1,4-dihydroquinoline-6-carboxylic Acid Methyl Ester

24. 7-methoxy-4-oxo-1,4-dihydro-quinoline-6-carboxylic Acid Methyl Ester

2.3 Create Date
2007-12-05
3 Chemical and Physical Properties
Molecular Weight 233.22 g/mol
Molecular Formula C12H11NO4
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass233.06880783 g/mol
Monoisotopic Mass233.06880783 g/mol
Topological Polar Surface Area64.6 Ų
Heavy Atom Count17
Formal Charge0
Complexity352
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1