C239H228N18O30 — CID 158750831
ethyl 2-methyl-5-[4-(quinolin-2-ylmethoxy)phenyl]furan-3-carboxylate;methane;2-[[3-[2-[2-methoxy-4-(2H-tetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline;2-methyl-5-[4-(quinolin-2-ylmethoxy)phenyl]furan-3-carboxylic acid;1-methyl-5-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]indole-3-carboxylic acid;2-[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]pentanoic acid;2-[4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid;2-[2-[(E)-2-[4-(quinolin-2-ylmethoxy)phenyl]ethenyl]phenyl]acetic acid;2-[2-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]phenyl]acetic acid;2-[[7-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxymethyl]quinoline (PubChem CID 158750831) has the molecular formula C239H228N18O30 and a molecular weight of 3832.55 g/mol. Its IUPAC name is ethyl 2-methyl-5-[4-(quinolin-2-ylmethoxy)phenyl]furan-3-carboxylate;methane;2-[[3-[2-[2-methoxy-4-(2H-tetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline;2-methyl-5-[4-(quinolin-2-ylmethoxy)phenyl]furan-3-carboxylic acid;1-methyl-5-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]indole-3-carboxylic acid;2-[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]pentanoic acid;2-[4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid;2-[2-[(E)-2-[4-(quinolin-2-ylmethoxy)phenyl]ethenyl]phenyl]acetic acid;2-[2-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]phenyl]acetic acid;2-[[7-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxymethyl]quinoline.
| Compound Name | ethyl 2-methyl-5-[4-(quinolin-2-ylmethoxy)phenyl]furan-3-carboxylate;methane;2-[[3-[2-[2-methoxy-4-(2H-tetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline;2-methyl-5-[4-(quinolin-2-ylmethoxy)phenyl]furan-3-carboxylic acid;1-methyl-5-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]indole-3-carboxylic acid;2-[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]pentanoic acid;2-[4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid;2-[2-[(E)-2-[4-(quinolin-2-ylmethoxy)phenyl]ethenyl]phenyl]acetic acid;2-[2-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]phenyl]acetic acid;2-[[7-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxymethyl]quinoline |
|---|---|
| PubChem CID | 158750831 |
| Molecular Formula | C239H228N18O30 |
| Molecular Weight | 3832.55 g/mol |
| Exact Mass | 3829.69 |
| IUPAC Name | ethyl 2-methyl-5-[4-(quinolin-2-ylmethoxy)phenyl]furan-3-carboxylate;methane;2-[[3-[2-[2-methoxy-4-(2H-tetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline;2-methyl-5-[4-(quinolin-2-ylmethoxy)phenyl]furan-3-carboxylic acid;1-methyl-5-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]indole-3-carboxylic acid;2-[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]pentanoic acid;2-[4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid;2-[2-[(E)-2-[4-(quinolin-2-ylmethoxy)phenyl]ethenyl]phenyl]acetic acid;2-[2-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]phenyl]acetic acid;2-[[7-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxymethyl]quinoline |
| SMILES | C.C.C.C.C.C.C.CCCC(Oc1cccc(COc2cccc(OCc3ccc4ccccc4n3)c2)c1)C(=O)O.CCOC(=O)c1cc(-c2ccc(OCc3ccc4ccccc4n3)cc2)oc1C.COc1cc(-c2nn[nH]n2)ccc1CCc1cccc(OCc2ccc3ccccc3n2)c1.Cc1oc(-c2ccc(OCc3ccc4ccccc4n3)cc2)cc1C(=O)O.Cn1cc(C(=O)O)c2cc(OCc3cccc(OCc4ccc5ccccc5n4)c3)ccc21.O=C(O)Cc1ccc(COc2cccc(OCc3ccc4ccccc4n3)c2)cc1.O=C(O)Cc1ccccc1/C=C/c1ccc(OCc2ccc3ccccc3n2)cc1.O=C(O)Cc1ccccc1CCc1ccc(OCc2ccc3ccccc3n2)cc1.c1cc(CC2CCc3ccc(OCc4ccc5ccccc5n4)cc3C2)cc(-c2nn[nH]n2)c1 |
| InChI | InChI=1S/C28H25N5O.C28H27NO5.C27H22N2O4.C26H23N5O2.C26H23NO3.C26H21NO3.C25H21NO4.C24H21NO4.C22H17NO4.7CH4/c1-2-7-27-22(5-1)10-12-25(29-27)18-34-26-13-11-21-9-8-20(16-24(21)17-26)14-19-4-3-6-23(15-19)28-30-32-33-31-28;1-2-7-27(28(30)31)34-25-12-5-8-20(16-25)18-32-23-10-6-11-24(17-23)33-19-22-15-14-21-9-3-4-13-26(21)29-22;1-29-15-24(27(30)31)23-14-22(11-12-26(23)29)32-16-18-5-4-7-21(13-18)33-17-20-10-9-19-6-2-3-8-25(19)28-20;1-32-25-16-21(26-28-30-31-29-26)12-11-20(25)10-9-18-5-4-7-23(15-18)33-17-22-14-13-19-6-2-3-8-24(19)27-22;2*28-26(29)17-22-7-2-1-5-20(22)12-9-19-10-15-24(16-11-19)30-18-23-14-13-21-6-3-4-8-25(21)27-23;27-25(28)14-18-8-10-19(11-9-18)16-29-22-5-3-6-23(15-22)30-17-21-13-12-20-4-1-2-7-24(20)26-21;1-3-27-24(26)21-14-23(29-16(21)2)18-9-12-20(13-10-18)28-15-19-11-8-17-6-4-5-7-22(17)25-19;1-14-19(22(24)25)12-21(27-14)16-7-10-18(11-8-16)26-13-17-9-6-15-4-2-3-5-20(15)23-17;;;;;;;/h1-7,10-13,15,17,20H,8-9,14,16,18H2,(H,30,31,32,33);3-6,8-17,27H,2,7,18-19H2,1H3,(H,30,31);2-15H,16-17H2,1H3,(H,30,31);2-8,11-16H,9-10,17H2,1H3,(H,28,29,30,31);1-8,10-11,13-16H,9,12,17-18H2,(H,28,29);1-16H,17-18H2,(H,28,29);1-13,15H,14,16-17H2,(H,27,28);4-14H,3,15H2,1-2H3;2-12H,13H2,1H3,(H,24,25);7*1H4/b;;;;;12-9+;;;;;;;;;; |
| InChIKey | INLOBIXUPJRZLT-UUKXLGIFSA-N |
| XLogP | 52.69 |
| TPSA | 635.46 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 40 |
| Rotatable Bonds | 66 |
| Heavy Atoms | 287 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3832.55 |
| LogP ≤ 5 | 52.69 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 40 |
| Structural Alerts | {'alert_name': 'stilbene', 'substructure': 'N/A'} |
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