C113H85Cl3N20O18 — CID 159159196
6-(4-chlorophenoxy)-N-hydroxyquinoline-3-carboxamide;6-(4-chlorophenyl)-N-hydroxyquinoline-3-carboxamide;6-[(4-chlorophenyl)methyl]-N-hydroxyquinoline-3-carboxamide;6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-hydroxyquinoline-3-carboxamide;N-hydroxy-7-(pyridin-4-ylamino)quinoline-3-carboxamide;N-hydroxy-6-pyridin-4-yloxyquinoline-3-carboxamide;N-hydroxy-7-pyridin-4-ylquinoline-3-carboxamide (PubChem CID 159159196) has the molecular formula C113H85Cl3N20O18 and a molecular weight of 2117.40 g/mol. Its IUPAC name is 6-(4-chlorophenoxy)-N-hydroxyquinoline-3-carboxamide;6-(4-chlorophenyl)-N-hydroxyquinoline-3-carboxamide;6-[(4-chlorophenyl)methyl]-N-hydroxyquinoline-3-carboxamide;6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-hydroxyquinoline-3-carboxamide;N-hydroxy-7-(pyridin-4-ylamino)quinoline-3-carboxamide;N-hydroxy-6-pyridin-4-yloxyquinoline-3-carboxamide;N-hydroxy-7-pyridin-4-ylquinoline-3-carboxamide.
| Compound Name | 6-(4-chlorophenoxy)-N-hydroxyquinoline-3-carboxamide;6-(4-chlorophenyl)-N-hydroxyquinoline-3-carboxamide;6-[(4-chlorophenyl)methyl]-N-hydroxyquinoline-3-carboxamide;6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-hydroxyquinoline-3-carboxamide;N-hydroxy-7-(pyridin-4-ylamino)quinoline-3-carboxamide;N-hydroxy-6-pyridin-4-yloxyquinoline-3-carboxamide;N-hydroxy-7-pyridin-4-ylquinoline-3-carboxamide |
|---|---|
| PubChem CID | 159159196 |
| Molecular Formula | C113H85Cl3N20O18 |
| Molecular Weight | 2117.40 g/mol |
| Exact Mass | 2114.54 |
| IUPAC Name | 6-(4-chlorophenoxy)-N-hydroxyquinoline-3-carboxamide;6-(4-chlorophenyl)-N-hydroxyquinoline-3-carboxamide;6-[(4-chlorophenyl)methyl]-N-hydroxyquinoline-3-carboxamide;6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-hydroxyquinoline-3-carboxamide;N-hydroxy-7-(pyridin-4-ylamino)quinoline-3-carboxamide;N-hydroxy-6-pyridin-4-yloxyquinoline-3-carboxamide;N-hydroxy-7-pyridin-4-ylquinoline-3-carboxamide |
| SMILES | O=C(NO)c1cnc2cc(-c3ccncc3)ccc2c1.O=C(NO)c1cnc2cc(Nc3ccncc3)ccc2c1.O=C(NO)c1cnc2ccc(-c3ccc(Cl)cc3)cc2c1.O=C(NO)c1cnc2ccc(Cc3ccc(Cl)cc3)cc2c1.O=C(NO)c1cnc2ccc(Oc3ccc(Cl)cc3)cc2c1.O=C(NO)c1cnc2ccc(Oc3ccnc(NC(=O)C4CC4)c3)cc2c1.O=C(NO)c1cnc2ccc(Oc3ccncc3)cc2c1 |
| InChI | InChI=1S/C19H16N4O4.C17H13ClN2O2.C16H11ClN2O3.C16H11ClN2O2.C15H12N4O2.C15H11N3O3.C15H11N3O2/c24-18(11-1-2-11)22-17-9-15(5-6-20-17)27-14-3-4-16-12(8-14)7-13(10-21-16)19(25)23-26;18-15-4-1-11(2-5-15)7-12-3-6-16-13(8-12)9-14(10-19-16)17(21)20-22;17-12-1-3-13(4-2-12)22-14-5-6-15-10(8-14)7-11(9-18-15)16(20)19-21;17-14-4-1-10(2-5-14)11-3-6-15-12(7-11)8-13(9-18-15)16(20)19-21;20-15(19-21)11-7-10-1-2-13(8-14(10)17-9-11)18-12-3-5-16-6-4-12;19-15(18-20)11-7-10-8-13(1-2-14(10)17-9-11)21-12-3-5-16-6-4-12;19-15(18-20)13-7-12-2-1-11(8-14(12)17-9-13)10-3-5-16-6-4-10/h3-11,26H,1-2H2,(H,23,25)(H,20,22,24);1-6,8-10,22H,7H2,(H,20,21);1-9,21H,(H,19,20);1-9,21H,(H,19,20);1-9,21H,(H,16,18)(H,19,20);1-9,20H,(H,18,19);1-9,20H,(H,18,19) |
| InChIKey | KKGYTVQWNDJUER-UHFFFAOYSA-N |
| XLogP | 21.41 |
| TPSA | 555.92 Ų |
| H-Bond Donors | 16 |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 154 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2117.40 |
| LogP ≤ 5 | 21.41 |
| H-Bond Donors ≤ 5 | 16 |
| H-Bond Acceptors ≤ 10 | 30 |
| Structural Alerts | {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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