C165H180FN21O25 — CID 159338818
3-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propan-1-one;6-[3-[6-methoxy-4-[(2-methyl-1H-indol-5-yl)oxy]quinolin-7-yl]oxypropyl]-2-oxa-6-azaspiro[3.3]heptane;7-[3-[6-methoxy-4-[(2-methyl-1H-indol-5-yl)oxy]quinolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.4]octane;6-[3-[6-methoxy-4-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]quinolin-7-yl]oxypropyl]-2-oxa-6-azaspiro[3.3]heptane;7-[3-[6-methoxy-4-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]quinolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.5]nonane;7-[3-[6-methoxy-4-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]quinolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.4]octane (PubChem CID 159338818) has the molecular formula C165H180FN21O25 and a molecular weight of 2876.37 g/mol. Its IUPAC name is 3-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propan-1-one;6-[3-[6-methoxy-4-[(2-methyl-1H-indol-5-yl)oxy]quinolin-7-yl]oxypropyl]-2-oxa-6-azaspiro[3.3]heptane;7-[3-[6-methoxy-4-[(2-methyl-1H-indol-5-yl)oxy]quinolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.4]octane;6-[3-[6-methoxy-4-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]quinolin-7-yl]oxypropyl]-2-oxa-6-azaspiro[3.3]heptane;7-[3-[6-methoxy-4-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]quinolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.5]nonane;7-[3-[6-methoxy-4-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]quinolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.4]octane.
| Compound Name | 3-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propan-1-one;6-[3-[6-methoxy-4-[(2-methyl-1H-indol-5-yl)oxy]quinolin-7-yl]oxypropyl]-2-oxa-6-azaspiro[3.3]heptane;7-[3-[6-methoxy-4-[(2-methyl-1H-indol-5-yl)oxy]quinolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.4]octane;6-[3-[6-methoxy-4-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]quinolin-7-yl]oxypropyl]-2-oxa-6-azaspiro[3.3]heptane;7-[3-[6-methoxy-4-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]quinolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.5]nonane;7-[3-[6-methoxy-4-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]quinolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.4]octane |
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| PubChem CID | 159338818 |
| Molecular Formula | C165H180FN21O25 |
| Molecular Weight | 2876.37 g/mol |
| Exact Mass | 2874.34 |
| IUPAC Name | 3-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propan-1-one;6-[3-[6-methoxy-4-[(2-methyl-1H-indol-5-yl)oxy]quinolin-7-yl]oxypropyl]-2-oxa-6-azaspiro[3.3]heptane;7-[3-[6-methoxy-4-[(2-methyl-1H-indol-5-yl)oxy]quinolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.4]octane;6-[3-[6-methoxy-4-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]quinolin-7-yl]oxypropyl]-2-oxa-6-azaspiro[3.3]heptane;7-[3-[6-methoxy-4-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]quinolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.5]nonane;7-[3-[6-methoxy-4-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]quinolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.4]octane |
| SMILES | COc1cc2c(Oc3ccc4[nH]c(C)cc4c3)ccnc2cc1OCCCN1CC2(COC2)C1.COc1cc2c(Oc3ccc4[nH]c(C)cc4c3)ccnc2cc1OCCCN1CCC2(COC2)C1.COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ccnc2cc1OCCC(=O)N1CCC2(CC1)COC2.COc1cc2c(Oc3cnc4[nH]c(C)cc4c3)ccnc2cc1OCCCN1CC2(COC2)C1.COc1cc2c(Oc3cnc4[nH]c(C)cc4c3)ccnc2cc1OCCCN1CCC2(CC1)COC2.COc1cc2c(Oc3cnc4[nH]c(C)cc4c3)ccnc2cc1OCCCN1CCC2(COC2)C1 |
| InChI | InChI=1S/C29H30FN3O5.C28H32N4O4.C28H31N3O4.C27H30N4O4.C27H29N3O4.C26H28N4O4/c1-18-13-20-21(32-18)3-4-24(28(20)30)38-23-5-9-31-22-15-26(25(35-2)14-19(22)23)37-12-6-27(34)33-10-7-29(8-11-33)16-36-17-29;1-19-12-20-13-21(16-30-27(20)31-19)36-24-4-7-29-23-15-26(25(33-2)14-22(23)24)35-11-3-8-32-9-5-28(6-10-32)17-34-18-28;1-19-12-20-13-21(4-5-23(20)30-19)35-25-6-8-29-24-15-27(26(32-2)14-22(24)25)34-11-3-9-31-10-7-28(16-31)17-33-18-28;1-18-10-19-11-20(14-29-26(19)30-18)35-23-4-6-28-22-13-25(24(32-2)12-21(22)23)34-9-3-7-31-8-5-27(15-31)16-33-17-27;1-18-10-19-11-20(4-5-22(19)29-18)34-24-6-7-28-23-13-26(25(31-2)12-21(23)24)33-9-3-8-30-14-27(15-30)16-32-17-27;1-17-8-18-9-19(12-28-25(18)29-17)34-22-4-5-27-21-11-24(23(31-2)10-20(21)22)33-7-3-6-30-13-26(14-30)15-32-16-26/h3-5,9,13-15,32H,6-8,10-12,16-17H2,1-2H3;4,7,12-16H,3,5-6,8-11,17-18H2,1-2H3,(H,30,31);4-6,8,12-15,30H,3,7,9-11,16-18H2,1-2H3;4,6,10-14H,3,5,7-9,15-17H2,1-2H3,(H,29,30);4-7,10-13,29H,3,8-9,14-17H2,1-2H3;4-5,8-12H,3,6-7,13-16H2,1-2H3,(H,28,29) |
| InChIKey | LFWNZBCYHUMLMT-UHFFFAOYSA-N |
| XLogP | 29.75 |
| TPSA | 468.78 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 39 |
| Rotatable Bonds | 47 |
| Heavy Atoms | 212 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2876.37 |
| LogP ≤ 5 | 29.75 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 39 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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