1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl 4-chloro-7-methoxyquinoline-6-carboxylate

2.1.2 InChI

InChI=1S/C12H10ClNO3/c1-16-11-6-10-7(9(13)3-4-14-10)5-8(11)12(15)17-2/h3-6H,1-2H3

2.1.3 InChI Key

DDDSGYZATMCUDW-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=CC2=NC=CC(=C2C=C1C(=O)OC)Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 205448-66-4

2. 6-quinolinecarboxylic Acid, 4-chloro-7-methoxy-, Methyl Ester

3. Mfcd17016133

4. 4-chloro-7-methoxyquinoline-6-carboxylic Acid Methyl Ester

5. Methyl4-chloro-7-methoxyquinoline-6-carboxylate

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

7. Schembl1132184

8. Amy3703

9. Dtxsid60627292

10. 6-quinolinecarboxylic Acid,4-chloro-7-methoxy-,methyl Ester

11. Bcp14205

12. Zinc72193720

13. Akos015949991

14. Ds-5315

15. Pb13744

16. Ac-29698

17. Sy098567

18. Db-023397

19. Cs-0049041

20. Ft-0684619

21. 4-chloro-7-methoxy-6-methoxycarbonylquinoline

22. Methyl4-chloro-7-methoxyquinoline -6-carboxylate

23. W-206531

24. 4-chloro-7-methoxy-quinoline-6-carboxylic Acid Methyl Ester

25. 4-chloro-7-methoxy-6-quinolinecarboxylic Acid Methyl Ester

2.3 Create Date

2007-12-05

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₁₀ClNO₃
Molecular Weight	251.66 g/mol
XLogP3	2.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	251.0349209 g/mol
Monoisotopic Mass	251.0349209 g/mol
Topological Polar Surface Area	48.4 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	287
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 205448-66-4

CAS 205448-66-4

CHEMISTRY

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