C214H244N18O42 — CID 159854167
(1,3-dioxoinden-2-yl) N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate;heptan-2-yl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamate;heptan-2-yl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate;heptan-2-yl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate;hex-5-yn-3-yl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamate;hex-5-yn-3-yl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate;3-piperidin-1-ylpropyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamate;3-piperidin-1-ylpropyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate (PubChem CID 159854167) has the molecular formula C214H244N18O42 and a molecular weight of 3740.39 g/mol. Its IUPAC name is (1,3-dioxoinden-2-yl) N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate;heptan-2-yl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamate;heptan-2-yl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate;heptan-2-yl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate;hex-5-yn-3-yl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamate;hex-5-yn-3-yl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate;3-piperidin-1-ylpropyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamate;3-piperidin-1-ylpropyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate.
| Compound Name | (1,3-dioxoinden-2-yl) N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate;heptan-2-yl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamate;heptan-2-yl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate;heptan-2-yl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate;hex-5-yn-3-yl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamate;hex-5-yn-3-yl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate;3-piperidin-1-ylpropyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamate;3-piperidin-1-ylpropyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate |
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| PubChem CID | 159854167 |
| Molecular Formula | C214H244N18O42 |
| Molecular Weight | 3740.39 g/mol |
| Exact Mass | 3737.75 |
| IUPAC Name | (1,3-dioxoinden-2-yl) N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate;heptan-2-yl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamate;heptan-2-yl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate;heptan-2-yl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate;hex-5-yn-3-yl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamate;hex-5-yn-3-yl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate;3-piperidin-1-ylpropyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamate;3-piperidin-1-ylpropyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate |
| SMILES | C#CCC(CC)OC(=O)Nc1cc(C)c(Oc2ccnc3cc(OC)c(OC)cc23)cc1C.C#CCC(CC)OC(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)c(C)c1C.CCCCCC(C)OC(=O)Nc1cc(C)c(Oc2ccnc3cc(OC)c(OC)cc23)cc1C.CCCCCC(C)OC(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)c(C)c1C.CCCCCC(C)OC(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cc1.COc1cc2nccc(Oc3cc(C)c(NC(=O)OCCCN4CCCCC4)cc3C)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=O)OC4C(=O)c5ccccc5C4=O)cc3)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=O)OCCCN4CCCCC4)c(C)c3C)c2cc1OC |
| InChI | InChI=1S/2C28H35N3O5.C27H20N2O7.2C27H34N2O5.2C26H28N2O5.C25H30N2O5/c1-19-20(2)24(36-25-11-12-29-23-18-27(34-4)26(33-3)17-21(23)25)10-9-22(19)30-28(32)35-16-8-15-31-13-6-5-7-14-31;1-19-16-25(36-24-9-10-29-23-18-27(34-4)26(33-3)17-21(23)24)20(2)15-22(19)30-28(32)35-14-8-13-31-11-6-5-7-12-31;1-33-22-13-19-20(14-23(22)34-2)28-12-11-21(19)35-16-9-7-15(8-10-16)29-27(32)36-26-24(30)17-5-3-4-6-18(17)25(26)31;1-7-8-9-10-19(4)33-27(30)29-21-13-18(3)24(14-17(21)2)34-23-11-12-28-22-16-26(32-6)25(31-5)15-20(22)23;1-7-8-9-10-17(2)33-27(30)29-21-11-12-23(19(4)18(21)3)34-24-13-14-28-22-16-26(32-6)25(31-5)15-20(22)24;1-7-9-18(8-2)32-26(29)28-20-12-17(4)23(13-16(20)3)33-22-10-11-27-21-15-25(31-6)24(30-5)14-19(21)22;1-7-9-18(8-2)32-26(29)28-20-10-11-22(17(4)16(20)3)33-23-12-13-27-21-15-25(31-6)24(30-5)14-19(21)23;1-5-6-7-8-17(2)31-25(28)27-18-9-11-19(12-10-18)32-22-13-14-26-21-16-24(30-4)23(29-3)15-20(21)22/h9-12,17-18H,5-8,13-16H2,1-4H3,(H,30,32);9-10,15-18H,5-8,11-14H2,1-4H3,(H,30,32);3-14,26H,1-2H3,(H,29,32);11-16,19H,7-10H2,1-6H3,(H,29,30);11-17H,7-10H2,1-6H3,(H,29,30);2*1,10-15,18H,8-9H2,2-6H3,(H,28,29);9-17H,5-8H2,1-4H3,(H,27,28) |
| InChIKey | NQHURYFPHFDQJK-UHFFFAOYSA-N |
| XLogP | 50.15 |
| TPSA | 671.90 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 52 |
| Rotatable Bonds | 70 |
| Heavy Atoms | 274 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3740.39 |
| LogP ≤ 5 | 50.15 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 52 |
| Structural Alerts | {'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
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