New synthesis of a late-stage tetracyclic key intermediate of lumateperone
Mátyás Milen, Bálint Nyulasi, Tamás Nagy, Gyula Simig and Balázs Volk
Beilstein J. Org. Chem. 2022, 18, 653–659.
https://doi.org/10.3762/bjoc.18.66
![Chemical structure [C<sub>15</sub>H<sub>13</sub>N<sub>2</sub>]<sup>+</sup>](/bjoc/content/substance/1860-5397-18-66-QCNKKYJRJKYRMK-UHFFFAOYSA-N.svg)
Chemical Information
Calculated using the Chemistry Development Kit 2.12
| Molecular Formula | [C15H13N2]+ |
| Molecular Weight | 221.28 g/mol |
| Exact Mass | 221.1079 Da |
| InChI |
InChI=1S/C15H13N2/c1-2-6-13(7-3-1)12-17-11-10-16-14-8-4-5-9-15(14)17/h1-11H,12H2/q+1
|
| InChIKey |
QCNKKYJRJKYRMK-UHFFFAOYSA-N
|
| SMILES |
C1=CC=C(C=C1)C[N+]2=C3C=CC=CC3=NC=C2
|
| Number of Atoms | 30 |
| Number of H-Bond Acceptors | 1 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 10 |
| XLogP | 1.9 |
