C116H105Cl2N19O20 — CID 159768766
7-(3-chloroanilino)-N-hydroxy-8-methylquinoline-3-carboxamide;2-chloro-N-hydroxy-7-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]quinoline-3-carboxamide;7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-hydroxy-2-methylquinoline-3-carboxamide;N-hydroxy-7-(3-methoxyanilino)-8-methylquinoline-3-carboxamide;N-hydroxy-7-(2-methoxyphenyl)-2-methylquinoline-3-carboxamide;N-hydroxy-2-methyl-7-[3-[(1-methylcyclohexanecarbonyl)amino]phenoxy]quinoline-3-carboxamide (PubChem CID 159768766) has the molecular formula C116H105Cl2N19O20 and a molecular weight of 2156.13 g/mol. Its IUPAC name is 7-(3-chloroanilino)-N-hydroxy-8-methylquinoline-3-carboxamide;2-chloro-N-hydroxy-7-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]quinoline-3-carboxamide;7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-hydroxy-2-methylquinoline-3-carboxamide;N-hydroxy-7-(3-methoxyanilino)-8-methylquinoline-3-carboxamide;N-hydroxy-7-(2-methoxyphenyl)-2-methylquinoline-3-carboxamide;N-hydroxy-2-methyl-7-[3-[(1-methylcyclohexanecarbonyl)amino]phenoxy]quinoline-3-carboxamide.
| Compound Name | 7-(3-chloroanilino)-N-hydroxy-8-methylquinoline-3-carboxamide;2-chloro-N-hydroxy-7-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]quinoline-3-carboxamide;7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-hydroxy-2-methylquinoline-3-carboxamide;N-hydroxy-7-(3-methoxyanilino)-8-methylquinoline-3-carboxamide;N-hydroxy-7-(2-methoxyphenyl)-2-methylquinoline-3-carboxamide;N-hydroxy-2-methyl-7-[3-[(1-methylcyclohexanecarbonyl)amino]phenoxy]quinoline-3-carboxamide |
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| PubChem CID | 159768766 |
| Molecular Formula | C116H105Cl2N19O20 |
| Molecular Weight | 2156.13 g/mol |
| Exact Mass | 2153.72 |
| IUPAC Name | 7-(3-chloroanilino)-N-hydroxy-8-methylquinoline-3-carboxamide;2-chloro-N-hydroxy-7-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]quinoline-3-carboxamide;7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-hydroxy-2-methylquinoline-3-carboxamide;N-hydroxy-7-(3-methoxyanilino)-8-methylquinoline-3-carboxamide;N-hydroxy-7-(2-methoxyphenyl)-2-methylquinoline-3-carboxamide;N-hydroxy-2-methyl-7-[3-[(1-methylcyclohexanecarbonyl)amino]phenoxy]quinoline-3-carboxamide |
| SMILES | COc1cccc(Nc2ccc3cc(C(=O)NO)cnc3c2C)c1.COc1ccccc1-c1ccc2cc(C(=O)NO)c(C)nc2c1.Cc1c(Nc2cccc(Cl)c2)ccc2cc(C(=O)NO)cnc12.Cc1nc2cc(Oc3cccc(NC(=O)C4(C)CCCCC4)c3)ccc2cc1C(=O)NO.Cc1nc2cc(Oc3ccnc(NC(=O)C4CC4)c3)ccc2cc1C(=O)NO.O=C1CCc2c(Oc3ccc4cc(C(=O)NO)c(Cl)nc4c3)ccnc2N1 |
| InChI | InChI=1S/C25H27N3O4.C20H18N4O4.C18H13ClN4O4.C18H17N3O3.C18H16N2O3.C17H14ClN3O2/c1-16-21(23(29)28-31)13-17-9-10-20(15-22(17)26-16)32-19-8-6-7-18(14-19)27-24(30)25(2)11-4-3-5-12-25;1-11-16(20(26)24-27)8-13-4-5-14(9-17(13)22-11)28-15-6-7-21-18(10-15)23-19(25)12-2-3-12;19-16-12(18(25)23-26)7-9-1-2-10(8-13(9)21-16)27-14-5-6-20-17-11(14)3-4-15(24)22-17;1-11-16(20-14-4-3-5-15(9-14)24-2)7-6-12-8-13(18(22)21-23)10-19-17(11)12;1-11-15(18(21)20-22)9-13-8-7-12(10-16(13)19-11)14-5-3-4-6-17(14)23-2;1-10-15(20-14-4-2-3-13(18)8-14)6-5-11-7-12(17(22)21-23)9-19-16(10)11/h6-10,13-15,31H,3-5,11-12H2,1-2H3,(H,27,30)(H,28,29);4-10,12,27H,2-3H2,1H3,(H,24,26)(H,21,23,25);1-2,5-8,26H,3-4H2,(H,23,25)(H,20,22,24);3-10,20,23H,1-2H3,(H,21,22);3-10,22H,1-2H3,(H,20,21);2-9,20,23H,1H3,(H,21,22) |
| InChIKey | NFVNRJUMGUMQSY-UHFFFAOYSA-N |
| XLogP | 22.45 |
| TPSA | 556.61 Ų |
| H-Bond Donors | 17 |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 157 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2156.13 |
| LogP ≤ 5 | 22.45 |
| H-Bond Donors ≤ 5 | 17 |
| H-Bond Acceptors ≤ 10 | 30 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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