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CAS 205448-65-3

Chemistry, 3 End Use API, 25 Related Intermediates

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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

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 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

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CAS Number

796848-79-8

End Use API

Lenvatinib

About the Company

Jinan Xinke Pharmaceutical Science and Technology Co., Ltd. (XKPHARM) is an innovation driven company, he...

Jinan Xinke Pharmaceutical Science and Technology Co., Ltd. (XKPHARM) is an innovation driven company, headquartered in Jinan city, Shandong province, China and focus on the researching, manufacturing and marketing of high value added APIs and their intermediates. XKPHARM has set up a modern R&D center in High-Tech Industrial Development Zone of Jinan city, which covers over 1000 square meters and owns a professional team. Our R&D center specialized in research and development of cutting-edge information and technology, thus providing a platform for the company's sustainably developing market competition.

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