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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

CAS 205448-65-3
1 2D Structure

CAS 205448-65-3

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

BUILDING BLOCK

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