C262H246N52O14 — CID 158278601
methane;2-[[4-[[2-methoxy-5-(2H-tetrazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[1-methyl-3-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-6-yl]oxymethyl]quinoline;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[3-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[(E)-2-[4-(2H-tetrazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline;2-[[3-[2-[3-(2H-tetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]oxymethyl]quinoline;2-[[4-[[3-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[4-[[4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[3-[2-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenoxy]methyl]quinoline (PubChem CID 158278601) has the molecular formula C262H246N52O14 and a molecular weight of 4347.20 g/mol. Its IUPAC name is methane;2-[[4-[[2-methoxy-5-(2H-tetrazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[1-methyl-3-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-6-yl]oxymethyl]quinoline;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[3-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[(E)-2-[4-(2H-tetrazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline;2-[[3-[2-[3-(2H-tetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]oxymethyl]quinoline;2-[[4-[[3-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[4-[[4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[3-[2-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenoxy]methyl]quinoline.
| Compound Name | methane;2-[[4-[[2-methoxy-5-(2H-tetrazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[1-methyl-3-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-6-yl]oxymethyl]quinoline;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[3-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[(E)-2-[4-(2H-tetrazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline;2-[[3-[2-[3-(2H-tetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]oxymethyl]quinoline;2-[[4-[[3-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[4-[[4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[3-[2-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenoxy]methyl]quinoline |
|---|---|
| PubChem CID | 158278601 |
| Molecular Formula | C262H246N52O14 |
| Molecular Weight | 4347.20 g/mol |
| Exact Mass | 4344.01 |
| IUPAC Name | methane;2-[[4-[[2-methoxy-5-(2H-tetrazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[1-methyl-3-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-6-yl]oxymethyl]quinoline;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[3-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[(E)-2-[4-(2H-tetrazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline;2-[[3-[2-[3-(2H-tetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]oxymethyl]quinoline;2-[[4-[[3-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[4-[[4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[3-[2-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenoxy]methyl]quinoline |
| SMILES | C.C.C.C.C.C.C.C.C.C.C(=C/c1cccc(OCc2ccc3ccccc3n2)c1)\c1ccc(-c2nn[nH]n2)cc1.CC(Cc1cccc(OCc2ccc3ccccc3n2)c1)c1cccc(-c2nn[nH]n2)c1.COc1ccc(-c2nn[nH]n2)cc1OCc1ccc(OCc2ccc3ccccc3n2)cc1.Cn1cc(Cc2cccc(-c3nn[nH]n3)c2)c2ccc(OCc3ccc4ccccc4n3)cc21.c1cc(CCc2cccc(-c3nn[nH]n3)c2)cc(OCc2ccc3ccccc3n2)c1.c1cc(COc2ccc(OCc3ccc4ccccc4n3)cc2)cc(Cc2nn[nH]n2)c1.c1cc(Cc2ccc(OCc3ccc4ccccc4n3)cc2)cc(-c2nn[nH]n2)c1.c1cc(Cn2ccc3cc(OCc4ccc5ccccc5n4)ccc32)cc(-c2nn[nH]n2)c1.c1ccc(Cc2nn[nH]n2)c(COc2ccc(OCc3ccc4ccccc4n3)cc2)c1.c1ccc2nc(COc3ccc(Cc4ccc(-c5nn[nH]n5)cc4)cc3)ccc2c1 |
| InChI | InChI=1S/C27H22N6O.C26H20N6O.C26H23N5O.C25H21N5O3.2C25H21N5O2.C25H21N5O.C25H19N5O.2C24H19N5O.10CH4/c1-33-16-21(14-18-5-4-7-20(13-18)27-29-31-32-30-27)24-12-11-23(15-26(24)33)34-17-22-10-9-19-6-2-3-8-25(19)28-22;1-2-7-24-19(5-1)8-9-22(27-24)17-33-23-10-11-25-20(15-23)12-13-32(25)16-18-4-3-6-21(14-18)26-28-30-31-29-26;1-18(21-8-5-9-22(16-21)26-28-30-31-29-26)14-19-6-4-10-24(15-19)32-17-23-13-12-20-7-2-3-11-25(20)27-23;1-31-23-13-9-19(25-27-29-30-28-25)14-24(23)33-15-17-6-11-21(12-7-17)32-16-20-10-8-18-4-2-3-5-22(18)26-20;1-2-7-24-20(6-1)8-9-21(26-24)17-32-23-12-10-22(11-13-23)31-16-19-5-3-4-18(14-19)15-25-27-29-30-28-25;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;1-2-10-24-20(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)14-15-22(26-24)17-31-23-6-3-4-19(16-23)9-8-18-10-12-21(13-11-18)25-27-29-30-28-25;1-2-7-23-19(5-1)10-11-21(25-23)16-30-22-12-8-17(9-13-22)14-18-4-3-6-20(15-18)24-26-28-29-27-24;1-2-4-23-19(3-1)11-12-21(25-23)16-30-22-13-7-18(8-14-22)15-17-5-9-20(10-6-17)24-26-28-29-27-24;;;;;;;;;;/h2-13,15-16H,14,17H2,1H3,(H,29,30,31,32);1-15H,16-17H2,(H,28,29,30,31);2-13,15-16,18H,14,17H2,1H3,(H,28,29,30,31);2-14H,15-16H2,1H3,(H,27,28,29,30);2*1-14H,15-17H2,(H,27,28,29,30);1-10,13-16H,11-12,17H2,(H,27,28,29,30);1-16H,17H2,(H,27,28,29,30);1-13,15H,14,16H2,(H,26,27,28,29);1-14H,15-16H2,(H,26,27,28,29);10*1H4/b;;;;;;;9-8+;;;;;;;;;;;; |
| InChIKey | GJXREZHTUHPZLN-WDTSTNBBSA-N |
| XLogP | 54.46 |
| TPSA | 812.58 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 56 |
| Rotatable Bonds | 68 |
| Heavy Atoms | 328 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4347.20 |
| LogP ≤ 5 | 54.46 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 56 |