C130H122N16O14 — CID 162224958
2-[2-methyl-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]pentanoic acid;2-[[4-[2-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;3-[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]hexan-2-one;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline (PubChem CID 162224958) has the molecular formula C130H122N16O14 and a molecular weight of 2132.50 g/mol. Its IUPAC name is 2-[2-methyl-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]pentanoic acid;2-[[4-[2-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;3-[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]hexan-2-one;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline.
| Compound Name | 2-[2-methyl-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]pentanoic acid;2-[[4-[2-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;3-[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]hexan-2-one;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline |
|---|---|
| PubChem CID | 162224958 |
| Molecular Formula | C130H122N16O14 |
| Molecular Weight | 2132.50 g/mol |
| Exact Mass | 2130.93 |
| IUPAC Name | 2-[2-methyl-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]pentanoic acid;2-[[4-[2-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;3-[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]hexan-2-one;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline |
| SMILES | CC(CCc1nn[nH]n1)Cc1ccc(OCc2ccc3ccccc3n2)cc1.CCCC(Oc1c(C)cccc1COc1ccc(OCc2ccc3ccccc3n2)cc1)C(=O)O.CCCC(Oc1cccc(COc2cccc(OCc3ccc4ccccc4n3)c2)c1)C(C)=O.c1cc(COc2ccc(OCc3ccc4ccccc4n3)cc2)cc(-c2ncn[nH]2)c1.c1ccc(Cc2nn[nH]n2)c(COc2ccc(OCc3ccc4ccccc4n3)cc2)c1 |
| InChI | InChI=1S/C29H29NO5.C29H29NO4.C25H21N5O2.C25H20N4O2.C22H23N5O/c1-3-7-27(29(31)32)35-28-20(2)8-6-10-22(28)18-33-24-14-16-25(17-15-24)34-19-23-13-12-21-9-4-5-11-26(21)30-23;1-3-8-29(21(2)31)34-27-13-6-9-22(17-27)19-32-25-11-7-12-26(18-25)33-20-24-16-15-23-10-4-5-14-28(23)30-24;1-2-7-20(19(6-1)15-25-27-29-30-28-25)16-31-22-11-13-23(14-12-22)32-17-21-10-9-18-5-3-4-8-24(18)26-21;1-2-7-24-19(5-1)8-9-21(28-24)16-31-23-12-10-22(11-13-23)30-15-18-4-3-6-20(14-18)25-26-17-27-29-25;1-16(6-13-22-24-26-27-25-22)14-17-7-11-20(12-8-17)28-15-19-10-9-18-4-2-3-5-21(18)23-19/h4-6,8-17,27H,3,7,18-19H2,1-2H3,(H,31,32);4-7,9-18,29H,3,8,19-20H2,1-2H3;1-14H,15-17H2,(H,27,28,29,30);1-14,17H,15-16H2,(H,26,27,29);2-5,7-12,16H,6,13-15H2,1H3,(H,24,25,26,27) |
| InChIKey | ZUQAPLLSJRURTG-UHFFFAOYSA-N |
| XLogP | 26.68 |
| TPSA | 370.84 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 45 |
| Heavy Atoms | 160 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2132.50 |
| LogP ≤ 5 | 26.68 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 26 |