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2D Structure
Also known as: 75535-96-5, 2-chloro-6,7-dihydro-9,10-dimethoxy-4h-pyrimido(6,1-a)isoquinolin-4-one, Refchem:259019, 2-chloro-9,10-dimethoxy-6,7-dihydro-4h-pyrimido[6,1-a]isoquinolin-4-one, Mfcd03661968, 4h-pyrimido[6,1-a]isoquinolin-4-one, 2-chloro-6,7-dihydro-9,10-dimethoxy-
Molecular Formula
C14H13ClN2O3
Molecular Weight
292.72  g/mol
InChI Key
BIJWXQNMLKVZJM-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-chloro-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
2.1.2 InChI
InChI=1S/C14H13ClN2O3/c1-19-11-5-8-3-4-17-10(7-13(15)16-14(17)18)9(8)6-12(11)20-2/h5-7H,3-4H2,1-2H3
2.1.3 InChI Key
BIJWXQNMLKVZJM-UHFFFAOYSA-N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 75535-96-5

2. 2-chloro-6,7-dihydro-9,10-dimethoxy-4h-pyrimido(6,1-a)isoquinolin-4-one

3. Refchem:259019

4. 2-chloro-9,10-dimethoxy-6,7-dihydro-4h-pyrimido[6,1-a]isoquinolin-4-one

5. Mfcd03661968

6. 4h-pyrimido[6,1-a]isoquinolin-4-one, 2-chloro-6,7-dihydro-9,10-dimethoxy-

7. 2-chloro-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one

8. 2-chloro-9,10-dimethoxy-6,7-dihydro-4h-pyrimido(6,1-a)isoquinolin-4-one

9. Starbld0002193

10. Schembl5117237

11. Schembl30640051

12. Bijwxqnmlkvzjm-uhfffaoysa-n

13. Dtxsid701151312

14. Stl348236

15. Akos022116102

16. Sy297047

17. E86163

18. F828804

19. 2-chloro-6,7-dihydro-9,10-dimethoxy-4h-pyrimido-[6,1-a]isoquinolin-4-one

20. 2-chloro-6,7-dihydro-9,10-dimethoxy-4h-pyrimido-[6,1-a]isoquinolin-4one

21. 2-chloro-9,10-dimethoxy-6,7-dihydro4h-pyrimido[6,1-a]isoquinolin-4-one

22. 2chloro-9,10-dimethoxy-6,7-dihydro-4h-pyrimido[6,1-a]isoquinolin-4-one

23. 9,10-dimethoxy-2-chloro-6,7-dihydro-4h-pyrimido(6,1-a) Isoquinolin-4-one

24. 9,10-dimethoxy-2-chloro-6,7-dihydro-4h-pyrimido(6,1-a)isoquinolin-4-one

25. 9,10-dimethoxy-6,7-dihydro-2-chloro-4h-pyrimido(6,1-a)-isoquinolin-4-one

26. 9,10-dimethoxy-6,7-dihydro-2-chloro-4h-pyrimido(6,1-a)isoquinolin-4-one

2.3 Create Date
2005-09-16
3 Chemical and Physical Properties
Molecular Weight 292.72 g/mol
Molecular Formula C14H13ClN2O3
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area51.1
Heavy Atom Count20
Formal Charge0
Complexity477
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1