C116H124F18KN13O19 — CID 162141506
potassium;6-cyclopropyl-N-(6-methoxy-2-oxohexyl)-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-N-(5-methoxy-2-oxopentyl)-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-N-(2-oxobutyl)-8-(trifluoromethyl)quinoline-2-carboxamide;2-[[6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carbonyl]amino]acetic acid;6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid;methanamine;methyl 2-aminoacetate;methyl 2-[[6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carbonyl]amino]acetate;hydroxide (PubChem CID 162141506) has the molecular formula C116H124F18KN13O19 and a molecular weight of 2385.40 g/mol. Its IUPAC name is potassium;6-cyclopropyl-N-(6-methoxy-2-oxohexyl)-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-N-(5-methoxy-2-oxopentyl)-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-N-(2-oxobutyl)-8-(trifluoromethyl)quinoline-2-carboxamide;2-[[6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carbonyl]amino]acetic acid;6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid;methanamine;methyl 2-aminoacetate;methyl 2-[[6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carbonyl]amino]acetate;hydroxide.
| Compound Name | potassium;6-cyclopropyl-N-(6-methoxy-2-oxohexyl)-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-N-(5-methoxy-2-oxopentyl)-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-N-(2-oxobutyl)-8-(trifluoromethyl)quinoline-2-carboxamide;2-[[6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carbonyl]amino]acetic acid;6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid;methanamine;methyl 2-aminoacetate;methyl 2-[[6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carbonyl]amino]acetate;hydroxide |
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| PubChem CID | 162141506 |
| Molecular Formula | C116H124F18KN13O19 |
| Molecular Weight | 2385.40 g/mol |
| Exact Mass | 2383.85 |
| IUPAC Name | potassium;6-cyclopropyl-N-(6-methoxy-2-oxohexyl)-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-N-(5-methoxy-2-oxopentyl)-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-N-(2-oxobutyl)-8-(trifluoromethyl)quinoline-2-carboxamide;2-[[6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carbonyl]amino]acetic acid;6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid;methanamine;methyl 2-aminoacetate;methyl 2-[[6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carbonyl]amino]acetate;hydroxide |
| SMILES | CCC(=O)CNC(=O)c1cc(C)c2cc(C3CC3)cc(C(F)(F)F)c2n1.CN.COC(=O)CN.COC(=O)CNC(=O)c1cc(C)c2cc(C3CC3)cc(C(F)(F)F)c2n1.COCCCC(=O)CNC(=O)c1cc(C)c2cc(C3CC3)cc(C(F)(F)F)c2n1.COCCCCC(=O)CNC(=O)c1cc(C)c2cc(C3CC3)cc(C(F)(F)F)c2n1.Cc1cc(C(=O)NCC(=O)O)nc2c(C(F)(F)F)cc(C3CC3)cc12.Cc1cc(C(=O)O)nc2c(C(F)(F)F)cc(C3CC3)cc12.[K+].[OH-] |
| InChI | InChI=1S/C22H25F3N2O3.C21H23F3N2O3.C19H19F3N2O2.C18H17F3N2O3.C17H15F3N2O3.C15H12F3NO2.C3H7NO2.CH5N.K.H2O/c1-13-9-19(21(29)26-12-16(28)5-3-4-8-30-2)27-20-17(13)10-15(14-6-7-14)11-18(20)22(23,24)25;1-12-8-18(20(28)25-11-15(27)4-3-7-29-2)26-19-16(12)9-14(13-5-6-13)10-17(19)21(22,23)24;1-3-13(25)9-23-18(26)16-6-10(2)14-7-12(11-4-5-11)8-15(17(14)24-16)19(20,21)22;1-9-5-14(17(25)22-8-15(24)26-2)23-16-12(9)6-11(10-3-4-10)7-13(16)18(19,20)21;1-8-4-13(16(25)21-7-14(23)24)22-15-11(8)5-10(9-2-3-9)6-12(15)17(18,19)20;1-7-4-12(14(20)21)19-13-10(7)5-9(8-2-3-8)6-11(13)15(16,17)18;1-6-3(5)2-4;1-2;;/h9-11,14H,3-8,12H2,1-2H3,(H,26,29);8-10,13H,3-7,11H2,1-2H3,(H,25,28);6-8,11H,3-5,9H2,1-2H3,(H,23,26);5-7,10H,3-4,8H2,1-2H3,(H,22,25);4-6,9H,2-3,7H2,1H3,(H,21,25)(H,23,24);4-6,8H,2-3H2,1H3,(H,20,21);2,4H2,1H3;2H2,1H3;;1H2/q;;;;;;;;+1;/p-1 |
| InChIKey | ZJZHBWGJGNAVLG-UHFFFAOYSA-M |
| XLogP | 19.12 |
| TPSA | 501.75 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 33 |
| Heavy Atoms | 167 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2385.40 |
| LogP ≤ 5 | 19.12 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 25 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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