C106H101F9N16O23 — CID 159764475
7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-hydroxy-6-methoxyquinoline-3-carboxamide;6-[3-(2,2-dimethylpropanoylamino)phenyl]-N-hydroxy-8-methoxy-4-(trifluoromethyl)quinoline-3-carboxamide;N-hydroxy-6,7-dimethoxyquinoline-3-carboxamide;N-hydroxy-6,7-dimethoxy-4-(trifluoromethyl)quinoline-3-carboxamide;N-hydroxy-8-methoxy-6-[2-(1-methylcyclohexyl)-2-oxoethyl]-4-(trifluoromethyl)quinoline-3-carboxamide;N-hydroxy-7-(2-pyridin-2-ylethyl)quinoline-3-carboxamide (PubChem CID 159764475) has the molecular formula C106H101F9N16O23 and a molecular weight of 2138.04 g/mol. Its IUPAC name is 7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-hydroxy-6-methoxyquinoline-3-carboxamide;6-[3-(2,2-dimethylpropanoylamino)phenyl]-N-hydroxy-8-methoxy-4-(trifluoromethyl)quinoline-3-carboxamide;N-hydroxy-6,7-dimethoxyquinoline-3-carboxamide;N-hydroxy-6,7-dimethoxy-4-(trifluoromethyl)quinoline-3-carboxamide;N-hydroxy-8-methoxy-6-[2-(1-methylcyclohexyl)-2-oxoethyl]-4-(trifluoromethyl)quinoline-3-carboxamide;N-hydroxy-7-(2-pyridin-2-ylethyl)quinoline-3-carboxamide.
| Compound Name | 7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-hydroxy-6-methoxyquinoline-3-carboxamide;6-[3-(2,2-dimethylpropanoylamino)phenyl]-N-hydroxy-8-methoxy-4-(trifluoromethyl)quinoline-3-carboxamide;N-hydroxy-6,7-dimethoxyquinoline-3-carboxamide;N-hydroxy-6,7-dimethoxy-4-(trifluoromethyl)quinoline-3-carboxamide;N-hydroxy-8-methoxy-6-[2-(1-methylcyclohexyl)-2-oxoethyl]-4-(trifluoromethyl)quinoline-3-carboxamide;N-hydroxy-7-(2-pyridin-2-ylethyl)quinoline-3-carboxamide |
|---|---|
| PubChem CID | 159764475 |
| Molecular Formula | C106H101F9N16O23 |
| Molecular Weight | 2138.04 g/mol |
| Exact Mass | 2136.71 |
| IUPAC Name | 7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-hydroxy-6-methoxyquinoline-3-carboxamide;6-[3-(2,2-dimethylpropanoylamino)phenyl]-N-hydroxy-8-methoxy-4-(trifluoromethyl)quinoline-3-carboxamide;N-hydroxy-6,7-dimethoxyquinoline-3-carboxamide;N-hydroxy-6,7-dimethoxy-4-(trifluoromethyl)quinoline-3-carboxamide;N-hydroxy-8-methoxy-6-[2-(1-methylcyclohexyl)-2-oxoethyl]-4-(trifluoromethyl)quinoline-3-carboxamide;N-hydroxy-7-(2-pyridin-2-ylethyl)quinoline-3-carboxamide |
| SMILES | COc1cc(-c2cccc(NC(=O)C(C)(C)C)c2)cc2c(C(F)(F)F)c(C(=O)NO)cnc12.COc1cc(CC(=O)C2(C)CCCCC2)cc2c(C(F)(F)F)c(C(=O)NO)cnc12.COc1cc2cc(C(=O)NO)cnc2cc1OC.COc1cc2cc(C(=O)NO)cnc2cc1Oc1ccnc(NC(=O)C2CC2)c1.COc1cc2ncc(C(=O)NO)c(C(F)(F)F)c2cc1OC.O=C(NO)c1cnc2cc(CCc3ccccn3)ccc2c1 |
| InChI | InChI=1S/C23H22F3N3O4.C21H23F3N2O4.C20H18N4O5.C17H15N3O2.C13H11F3N2O4.C12H12N2O4/c1-22(2,3)21(31)28-14-7-5-6-12(8-14)13-9-15-18(23(24,25)26)16(20(30)29-32)11-27-19(15)17(10-13)33-4;1-20(6-4-3-5-7-20)16(27)10-12-8-13-17(21(22,23)24)14(19(28)26-29)11-25-18(13)15(9-12)30-2;1-28-16-7-12-6-13(20(26)24-27)10-22-15(12)9-17(16)29-14-4-5-21-18(8-14)23-19(25)11-2-3-11;21-17(20-22)14-10-13-6-4-12(9-16(13)19-11-14)5-7-15-3-1-2-8-18-15;1-21-9-3-6-8(4-10(9)22-2)17-5-7(12(19)18-20)11(6)13(14,15)16;1-17-10-4-7-3-8(12(15)14-16)6-13-9(7)5-11(10)18-2/h5-11,32H,1-4H3,(H,28,31)(H,29,30);8-9,11,29H,3-7,10H2,1-2H3,(H,26,28);4-11,27H,2-3H2,1H3,(H,24,26)(H,21,23,25);1-4,6,8-11,22H,5,7H2,(H,20,21);3-5,20H,1-2H3,(H,18,19);3-6,16H,1-2H3,(H,14,15) |
| InChIKey | NFHZNXCRBDZFAN-UHFFFAOYSA-N |
| XLogP | 18.69 |
| TPSA | 548.21 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 31 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 154 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2138.04 |
| LogP ≤ 5 | 18.69 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 31 |
| Structural Alerts | {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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