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Also known as: 417721-36-9, 7-methoxy-4-chloro-quinoline-6-carboxamide, Mfcd13192256, 4-chloro-7-methoxy-6-quinolinecarboxamide, Amy474, Schembl1323767
Molecular Formula
C11H9ClN2O2
Molecular Weight
236.65  g/mol
InChI Key
ZBTVNIDMGKZSGC-UHFFFAOYSA-N

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 Weight 236.65 g/mol
Molecular Formula C11H9ClN2O2
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass236.0352552 g/mol
Monoisotopic Mass236.0352552 g/mol
Topological Polar Surface Area65.2 Ų
Heavy Atom Count16
Formal Charge0
Complexity275
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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