CAS 417721-36-9

1 2D Structure

CAS 417721-36-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-chloro-7-methoxyquinoline-6-carboxamide

2.1.2 InChI

InChI=1S/C11H9ClN2O2/c1-16-10-5-9-6(4-7(10)11(13)15)8(12)2-3-14-9/h2-5H,1H3,(H2,13,15)

2.1.3 InChI Key

ZBTVNIDMGKZSGC-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 417721-36-9

2. 7-methoxy-4-chloro-quinoline-6-carboxamide

3. Mfcd13192256

4. 4-chloro-7-methoxy-6-quinolinecarboxamide

5. Amy474

6. Schembl1323767

7. Dtxsid10629105

8. Bcp09852

9. Zinc90529473

10. Akos025146814

11. Akos032949975

12. Ds-8955

13. Sb40539

14. 6-carbamoyl-4-chloro-7-methoxyquinoline

15. Ac-30101

16. Sy060398

17. 7-methoxy-4-chloroquinoline-6-carboxamide

18. Cs-0014253

19. Ft-0700528

20. P11654

21. A854805

22. 4-chloro-7-methoxyquinoline-6-carboxylic Acid Amide

2.3 Create Date

2007-12-05

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₉ClN₂O₂
Molecular Weight	236.65 g/mol
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	236.0352552 g/mol
Monoisotopic Mass	236.0352552 g/mol
Topological Polar Surface Area	65.2 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	275
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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