CAS 76536-66-8 manufacturers and suppliers on PharmaCompass

Chemistry

Click the arrow to open the dropdown
read-moreClick the button for full data set
Also known as: 2-(mesitylamino)-9,10-dimethoxy-6,7-dihydro-4h-pyrimido[6,1-a]isoquinolin-4-one, 76536-66-8, 7jg2fsx72l, Chembl38347, Schembl5113231, Schembl9715827
Molecular Formula
C23H25N3O3
Molecular Weight
391.5  g/mol
InChI Key
FJVQNSDTSROABN-UHFFFAOYSA-N
FDA UNII
7JG2FSX72L

CAS 76536-66-8
1 2D Structure

CAS 76536-66-8

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
9,10-dimethoxy-2-(2,4,6-trimethylanilino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
2.1.2 InChI
InChI=1S/C23H25N3O3/c1-13-8-14(2)22(15(3)9-13)24-21-12-18-17-11-20(29-5)19(28-4)10-16(17)6-7-26(18)23(27)25-21/h8-12H,6-7H2,1-5H3,(H,24,25,27)
2.1.3 InChI Key
FJVQNSDTSROABN-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=CC(=C(C(=C1)C)NC2=NC(=O)N3CCC4=CC(=C(C=C4C3=C2)OC)OC)C
2.2 Other Identifiers
2.2.1 UNII
7JG2FSX72L
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

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

2. 76536-66-8

3. 7jg2fsx72l

4. Chembl38347

5. Schembl5113231

6. Schembl9715827

7. Fjvqnsdtsroabn-uhfffaoysa-n

8. Stl348665

9. Akos022125807

10. Cs-0455638

11. 9,10-dimethoxy-2-(2,4,6-trimethylanilino)-6,7-dihydro-4h-pyrimido(6,1-a)isoquinolin-4one

12. 4h-pyrimido[6,1-a]isoquinolin-4-one, 6,7-dihydro-9,10-dimethoxy-2-[(2,4,6-trimethylphenyl)amino]-

13. 6,7-dihydro-9,10-dimethoxy-2-[(2,4,6-trimethylphenyl)amino]-4h-pyrimido[6,1-a]isoquinolin-4-one

14. 9,10-dimethoxy-2-(2,4,6-trimethyl-anilino)-6,7-dihydro-4h-pyrimido(6,1-a)isoquinolin-4-one

15. 9,10-dimethoxy-2-(2,4,6-trimethylanilino)-6,7-dihydro-4h-pyrimido(6,1-a)isoquinolin-4-one

16. 9,10-dimethoxy-2-(2,4,6-trimethylphenylimino)-3,4,6,7-tetrahydro-2h-pyrimido[6,1-a]isoquinolin-4-one

17. 9,10-dimethoxy-2-[(2,4,6-trimethylphenyl)amino]-6,7-dihydro-4h-pyrimido[6,1-a]isoquinolin-4-one

2.4 Create Date
2005-07-13
3 Chemical and Physical Properties
Molecular Weight 391.5 g/mol
Molecular Formula C23H25N3O3
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area63.2
Heavy Atom Count29
Formal Charge0
Complexity679
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

MARKET PLACE

Do you need sourcing support? Ask us
Ask Us for Pharmaceutical Supplier and Partner
Ask Us, Find A Supplier / Partner
No Commissions, No Strings Attached, Get Connected for FREE

What are you looking for?

How can we help you?

The request can't be empty

Please read our Privacy Policy carefully

You must agree to the privacy policy

The name can't be empty
The company can't be empty.
The email can't be empty Please enter a valid email.
The mobile can't be empty