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Home> Encyclopedia > Hot Product Listed 6   > 6-Quinoxalinamine,1,2,3,4-tetrahydro-7-methyl-
1211806-55-1 structure

6-Quinoxalinamine,1,2,3,4-tetrahydro-7-methyl-

Iupac Name:[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1,3-dimethyl-6-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate
CAS No.:1211806-55-1
Molecular Weight:446.907
Molecular Formula:C11H11N3O2 (isomer)
Names and Identifiers
Synonyms

6-Quinoxalinamine, 1,2,3,4-tetrahydro-7-methyl- 6-quinoxalinamine, 1,2,3,4-tetrahydro-7-methyl- 7-methyl-1,2,3,4-tetrahydro-6-quinoxalinamine 7-methyl-1,2,3,4-tetrahydroquinoxalin-6-amine AK463009 AKOS027416722 HE141122 KB-294291 ZINC138036430

Inchi
InChI=1S/C22H24ClFN4O3/c1-12(2)18-9-14(20-13(3)26-28(5)21(20)25-18)22(30)31-11-19(29)27(4)10-15-16(23)7-6-8-17(15)24/h6-9,12H,10-11H2,1-5H3
InChkey
YBYJSWWIDSIUTJ-UHFFFAOYSA-N
Canonical Smiles
CC1=NN(C2=C1C(=CC(=N2)C(C)C)C(=O)OCC(=O)N(C)CC3=C(C=CC=C3Cl)F)C
Computational chemical data
  • Molecular Weight:446.907g/mol
  • Molecular Formula:C11H11N3O2
  • Compound Is Canonicalized:True
  • Exact Mass:446.152
  • Monoisotopic Mass:446.152
  • Complexity:654
  • Rotatable Bond Count:7
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:77.3A^2
  • Heavy Atom Count:31
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceB7sQAEAAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAFgB/AAAHwIIAAAADQrhny4zuN8IFACq AyfyfAKShCslh6Ad2CF4btiKLnLB/92HtQhszgPY6ae8yNAOgAAAAAABAAAAAAAAAAIAAAAAAAAA AA==
 
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