7U0
Summary
| Name: | 4-(2-azanylethoxy)-N2,N6-bis[4-(2-pyrrolidin-1-ylethoxy)quinolin-2-yl]pyridine-2,6-dicarboxamide |
| Formula: | C39 H44 N8 O5 |
| Formal charge: | 0 |
| Formula weight: | 704.817 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-(2-azanylethoxy)-~{N}2,~{N}6-bis[4-(2-pyrrolidin-1-ylethoxy)quinolin-2-yl]pyridine-2,6-dicarboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C39H44N8O5/c40-13-20-50-27-23-32(38(48)44-36-25-34(28-9-1-3-11-30(28)42-36)51-21-18-46-14-5-6-15-46)41-33(24-27)39(49)45-37-26-35(29-10-2-4-12-31(29)43-37)52-22-19-47-16-7-8-17-47/h1-4,9-12,23-26H,5-8,13-22,40H2,(H,42,44,48)(H,43,45,49) |
| InChIKey | InChI | 1.03 | ZNJSVFXFCLLIKA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCOc1cc(nc(c1)C(=O)Nc2cc(OCCN3CCCC3)c4ccccc4n2)C(=O)Nc5cc(OCCN6CCCC6)c7ccccc7n5 |
| SMILES | CACTVS | 3.385 | NCCOc1cc(nc(c1)C(=O)Nc2cc(OCCN3CCCC3)c4ccccc4n2)C(=O)Nc5cc(OCCN6CCCC6)c7ccccc7n5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c(cc(n2)NC(=O)c3cc(cc(n3)C(=O)Nc4cc(c5ccccc5n4)OCCN6CCCC6)OCCN)OCCN7CCCC7 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c(cc(n2)NC(=O)c3cc(cc(n3)C(=O)Nc4cc(c5ccccc5n4)OCCN6CCCC6)OCCN)OCCN7CCCC7 |
