N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-6-oxo-8-(pyrimidin-5-yl)-1,3,4,6-tetrahydro-2H-quinolizine-9-carboxamide
Chemical Structure Depiction of
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-6-oxo-8-(pyrimidin-5-yl)-1,3,4,6-tetrahydro-2H-quinolizine-9-carboxamide
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-6-oxo-8-(pyrimidin-5-yl)-1,3,4,6-tetrahydro-2H-quinolizine-9-carboxamide
Compound characteristics
| Compound ID: | S627-0340 |
| Compound Name: | N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-6-oxo-8-(pyrimidin-5-yl)-1,3,4,6-tetrahydro-2H-quinolizine-9-carboxamide |
| Molecular Weight: | 443.55 |
| Molecular Formula: | C26 H29 N5 O2 |
| Smiles: | C1CCN2C(C1)=C(C(=CC2=O)c1cncnc1)C(NCCCN1CCc2ccccc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2034 |
| logD: | 0.0536 |
| logSw: | -1.8315 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.378 |
| InChI Key: | VJJUTJBUPOEAMI-UHFFFAOYSA-N |