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 Formula	C₁₂H₁₁NO₄
Molecular Weight	233.22 g/mol
XLogP3	1.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	233.06880783 g/mol
Monoisotopic Mass	233.06880783 g/mol
Topological Polar Surface Area	64.6 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	352
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

CAS 205448-65-3

CAS 205448-65-3

CHEMISTRY

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