C4Q
Summary
| Name: | 4-(1,4,7,10-tetraazacyclododecan-1-ylmethyl)quinoline |
| Formula: | C18 H27 N5 |
| Formal charge: | 0 |
| Formula weight: | 313.44 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(1,4,7,10-tetraazacyclododecan-1-ylmethyl)quinoline |
| OpenEye OEToolkits | 1.7.6 | 4-(1,4,7,10-tetrazacyclododec-1-ylmethyl)quinoline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n2c1c(cccc1)c(cc2)CN3CCNCCNCCNCC3 |
| InChI | InChI | 1.03 | InChI=1S/C18H27N5/c1-2-4-18-17(3-1)16(5-6-22-18)15-23-13-11-20-9-7-19-8-10-21-12-14-23/h1-6,19-21H,7-15H2 |
| InChIKey | InChI | 1.03 | ZOBKJHWKGWGMPU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | C1CNCCN(CCNCCN1)Cc2ccnc3ccccc23 |
| SMILES | CACTVS | 3.370 | C1CNCCN(CCNCCN1)Cc2ccnc3ccccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)c(ccn2)CN3CCNCCNCCNCC3 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)c(ccn2)CN3CCNCCNCCNCC3 |
