N4-(7-chloro-quinolin-4-yl)-n1,n1-diethyl-pentane-1,4-diamine (CLQ) Summary
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- N4-(7-chloro-quinolin-4-yl)-n1,n1-diethyl-pentane-1,4-diamine (CLQ) Summary
- Dihedrals
Dihedrals Table
| Dih. | Atom names | Experimental | Type |
|---|---|---|---|
| 1 | CL.1-C7.9-C6.8-C5.76-7-8-0 CL.7-C7.8-C6.9-C5.1 | 178.65 | Rigid |
| 2 | CL.1-C7.9-C8.10-C9.1110-9-8-0 CL.11-C7.10-C8.9-C9.1 | -178.799 | Rigid |
| 3 | N1.2-C1.3-C2.4-C3.54-3-2-1 N1.5-C1.4-C2.3-C3.2 | -1.376 | Rigid Ring |
| 4 | N1.2-C9.11-C4.6-C3.54-5-10-1 N1.5-C9.6-C4.11-C3.2 | -1.318 | Rigid Ring |
| 5 | N1.2-C9.11-C4.6-C5.76-5-10-1 N1.7-C9.6-C4.11-C5.2 | 179.85 | Rigid Ring |
| 6 | N1.2-C9.11-C8.10-C7.98-9-10-1 N1.9-C9.10-C8.11-C7.2 | -179.785 | Rigid Ring |
| 7 | C1.3-N1.2-C9.11-C4.65-10-1-2 C1.6-N1.11-C9.2-C4.3 | 0.876 | Rigid Ring |
| 8 | C1.3-N1.2-C9.11-C8.109-10-1-2 C1.10-N1.11-C9.2-C8.3 | -179.485 | Rigid Ring |
| 9 | C1.3-C2.4-C3.5-C4.65-4-3-2 C1.6-C2.5-C3.4-C4.3 | 0.838 | Rigid Ring |
| 10 | C1.3-C2.4-C3.5-N2.1211-4-3-2 C1.12-C2.5-C3.4-N2.3 | -179.837 | Rigid |
| 11 | C2.4-C1.3-N1.2-C9.1110-1-2-3 C2.11-C1.2-N1.3-C9.4 | 0.501 | Rigid Ring |
| 12 | C2.4-C3.5-C4.6-C5.76-5-4-3 C2.7-C3.6-C4.5-C5.4 | 179.208 | Rigid Ring |
| 13 | C2.4-C3.5-C4.6-C9.1110-5-4-3 C2.11-C3.6-C4.5-C9.4 | 0.479 | Rigid Ring |
| 14 | C2.4-C3.5-N2.12-C10.1312-11-4-3 C2.13-C3.12-N2.5-C10.4 | 7.71 | Flexible |
| 15 | C3.5-C4.6-C5.7-C6.87-6-5-4 C3.8-C4.7-C5.6-C6.5 | -179.109 | Rigid Ring |
| 16 | C3.5-C4.6-C9.11-C8.109-10-5-4 C3.10-C4.11-C9.6-C8.5 | 179.047 | Rigid Ring |
| 17 | C3.5-N2.12-C10.13-C11.1413-12-11-4 C3.14-N2.13-C10.12-C11.5 | 60.58 | Flexible |
| 18 | C3.5-N2.12-C10.13-C18.2221-12-11-4 C3.22-N2.13-C10.12-C18.5 | -174.242 | Flexible |
| 19 | C4.6-C3.5-N2.12-C10.1312-11-4-5 C4.13-C3.12-N2.5-C10.6 | -172.98 | Flexible |
| 20 | C4.6-C5.7-C6.8-C7.98-7-6-5 C4.9-C5.8-C6.7-C7.6 | 0.461 | Rigid Ring |
| 21 | C4.6-C9.11-C8.10-C7.98-9-10-5 C4.9-C9.10-C8.11-C7.6 | -0.147 | Rigid Ring |
| 22 | C5.7-C4.6-C3.5-N2.1211-4-5-6 C5.12-C4.5-C3.6-N2.7 | -0.138 | Rigid |
| 23 | C5.7-C4.6-C9.11-C8.109-10-5-6 C5.10-C4.11-C9.6-C8.7 | 0.215 | Rigid Ring |
| 24 | C5.7-C6.8-C7.9-C8.109-8-7-6 C5.10-C6.9-C7.8-C8.7 | -0.388 | Rigid Ring |
| 25 | C6.8-C5.7-C4.6-C9.1110-5-6-7 C6.11-C5.6-C4.7-C9.8 | -0.378 | Rigid Ring |
| 26 | C6.8-C7.9-C8.10-C9.1110-9-8-7 C6.11-C7.10-C8.9-C9.8 | 0.231 | Rigid Ring |
| 27 | C9.11-C4.6-C3.5-N2.1211-4-5-10 C9.12-C4.5-C3.6-N2.11 | -178.867 | Rigid |
| 28 | N2.12-C10.13-C11.14-C12.1514-13-12-11 N2.15-C10.14-C11.13-C12.12 | 64.628 | Flexible |
| 29 | C10.13-C11.14-C12.15-C13.1615-14-13-12 C10.16-C11.15-C12.14-C13.13 | -163.36 | Flexible |
| 30 | C11.14-C12.15-C13.16-N3.1716-15-14-13 C11.17-C12.16-C13.15-N3.14 | -60.659 | Flexible |
| 31 | C12.15-C11.14-C10.13-C18.2221-12-13-14 C12.22-C11.13-C10.14-C18.15 | -58.883 | Flexible |
| 32 | C12.15-C13.16-N3.17-C14.1817-16-15-14 C12.18-C13.17-N3.16-C14.15 | 161.727 | Flexible |
| 33 | C12.15-C13.16-N3.17-C16.2019-16-15-14 C12.20-C13.17-N3.16-C16.15 | -62.532 | Flexible |
| 34 | C13.16-N3.17-C14.18-C15.1918-17-16-15 C13.19-N3.18-C14.17-C15.16 | 179.423 | Flexible |
| 35 | C13.16-N3.17-C16.20-C17.2120-19-16-15 C13.21-N3.20-C16.17-C17.16 | -79.414 | Flexible |
| 36 | C14.18-N3.17-C16.20-C17.2120-19-16-17 C14.21-N3.20-C16.17-C17.18 | 54.23 | Flexible |
| 37 | C15.19-C14.18-N3.17-C16.2019-16-17-18 C15.20-C14.17-N3.18-C16.19 | 45.48 | Flexible |
Dihedrals Histogram