C262H247N51O18 — CID 159266071
methane;2-[[3-[[2-methoxy-5-(2H-tetrazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[4-[[2-methoxy-4-(2H-tetrazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[1-methyl-3-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-4,5-dihydroindol-5-yl]oxymethyl]quinoline;2-[[4-[[3-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[3-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[4-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[(E)-2-[3-(2H-tetrazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline;bis(2-[[4-[(E)-2-[4-(2H-tetrazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline);2-[[4-[2-[3-(2H-tetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline (PubChem CID 159266071) has the molecular formula C262H247N51O18 and a molecular weight of 4398.20 g/mol. Its IUPAC name is methane;2-[[3-[[2-methoxy-5-(2H-tetrazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[4-[[2-methoxy-4-(2H-tetrazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[1-methyl-3-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-4,5-dihydroindol-5-yl]oxymethyl]quinoline;2-[[4-[[3-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[3-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[4-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[(E)-2-[3-(2H-tetrazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline;bis(2-[[4-[(E)-2-[4-(2H-tetrazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline);2-[[4-[2-[3-(2H-tetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline.
| Compound Name | methane;2-[[3-[[2-methoxy-5-(2H-tetrazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[4-[[2-methoxy-4-(2H-tetrazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[1-methyl-3-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-4,5-dihydroindol-5-yl]oxymethyl]quinoline;2-[[4-[[3-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[3-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[4-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[(E)-2-[3-(2H-tetrazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline;bis(2-[[4-[(E)-2-[4-(2H-tetrazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline);2-[[4-[2-[3-(2H-tetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline |
|---|---|
| PubChem CID | 159266071 |
| Molecular Formula | C262H247N51O18 |
| Molecular Weight | 4398.20 g/mol |
| Exact Mass | 4395.00 |
| IUPAC Name | methane;2-[[3-[[2-methoxy-5-(2H-tetrazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[4-[[2-methoxy-4-(2H-tetrazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[1-methyl-3-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-4,5-dihydroindol-5-yl]oxymethyl]quinoline;2-[[4-[[3-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[3-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[4-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[(E)-2-[3-(2H-tetrazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline;bis(2-[[4-[(E)-2-[4-(2H-tetrazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline);2-[[4-[2-[3-(2H-tetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline |
| SMILES | C.C.C.C.C.C.C.C.C.C.C(=C/c1ccc(-c2nn[nH]n2)cc1)\c1ccc(OCc2ccc3ccccc3n2)cc1.C(=C/c1ccc(-c2nn[nH]n2)cc1)\c1ccc(OCc2ccc3ccccc3n2)cc1.C(=C/c1cccc(-c2nn[nH]n2)c1)\c1cccc(OCc2ccc3ccccc3n2)c1.COc1cc(-c2nn[nH]n2)ccc1OCc1ccc(OCc2ccc3ccccc3n2)cc1.COc1ccc(-c2nn[nH]n2)cc1OCc1cccc(OCc2ccc3ccccc3n2)c1.Cn1cc(Cc2cccc(-c3nn[nH]n3)c2)c2c1C=CC(OCc1ccc3ccccc3n1)C2.c1cc(CCc2ccc(OCc3ccc4ccccc4n3)cc2)cc(-c2nn[nH]n2)c1.c1cc(COc2ccc(OCc3ccc4ccccc4n3)cc2)cc(OCc2nn[nH]n2)c1.c1cc(COc2cccc(OCc3ccc4ccccc4n3)c2)cc(Cc2nn[nH]n2)c1.c1cc(OCc2ccc(Cc3nn[nH]n3)cc2)cc(OCc2ccc3ccccc3n2)c1 |
| InChI | InChI=1S/C27H24N6O.3C25H21N5O3.2C25H21N5O2.C25H19N5O.C25H21N5O.2C25H19N5O.10CH4/c1-33-16-21(14-18-5-4-7-20(13-18)27-29-31-32-30-27)24-15-23(11-12-26(24)33)34-17-22-10-9-19-6-2-3-8-25(19)28-22;1-31-23-12-10-19(25-27-29-30-28-25)14-24(23)33-15-17-5-4-7-21(13-17)32-16-20-11-9-18-6-2-3-8-22(18)26-20;1-31-24-14-19(25-27-29-30-28-25)9-13-23(24)33-15-17-6-11-21(12-7-17)32-16-20-10-8-18-4-2-3-5-22(18)26-20;1-2-7-24-19(5-1)8-9-20(26-24)16-32-22-12-10-21(11-13-22)31-15-18-4-3-6-23(14-18)33-17-25-27-29-30-28-25;1-2-10-24-20(7-1)11-12-21(26-24)17-32-23-9-4-8-22(15-23)31-16-19-6-3-5-18(13-19)14-25-27-29-30-28-25;1-2-7-24-20(4-1)12-13-21(26-24)17-32-23-6-3-5-22(15-23)31-16-19-10-8-18(9-11-19)14-25-27-29-30-28-25;1-2-10-24-20(7-1)13-14-22(26-24)17-31-23-9-4-6-19(16-23)12-11-18-5-3-8-21(15-18)25-27-29-30-28-25;1-2-7-24-20(5-1)12-13-22(26-24)17-31-23-14-10-18(11-15-23)8-9-19-4-3-6-21(16-19)25-27-29-30-28-25;2*1-2-4-24-20(3-1)13-14-22(26-24)17-31-23-15-9-19(10-16-23)6-5-18-7-11-21(12-8-18)25-27-29-30-28-25;;;;;;;;;;/h2-13,16,23H,14-15,17H2,1H3,(H,29,30,31,32);2*2-14H,15-16H2,1H3,(H,27,28,29,30);1-14H,15-17H2,(H,27,28,29,30);2*1-13,15H,14,16-17H2,(H,27,28,29,30);1-16H,17H2,(H,27,28,29,30);1-7,10-16H,8-9,17H2,(H,27,28,29,30);2*1-16H,17H2,(H,27,28,29,30);10*1H4/b;;;;;;12-11+;;2*6-5+;;;;;;;;;; |
| InChIKey | KXCRXZOYFDWMED-GIGITTMRSA-N |
| XLogP | 53.77 |
| TPSA | 844.57 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 59 |
| Rotatable Bonds | 72 |
| Heavy Atoms | 331 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4398.20 |
| LogP ≤ 5 | 53.77 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 59 |