C113H85ClF7N17O8 — CID 158614919
7-[(3-chloro-2-methoxy-4-pyridinyl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(4-methoxyphenyl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-methoxy-4-pyridinyl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-methoxypyrimidin-5-yl)methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]quinoline-2-carbonitrile (PubChem CID 158614919) has the molecular formula C113H85ClF7N17O8 and a molecular weight of 1977.47 g/mol. Its IUPAC name is 7-[(3-chloro-2-methoxy-4-pyridinyl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(4-methoxyphenyl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-methoxy-4-pyridinyl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-methoxypyrimidin-5-yl)methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]quinoline-2-carbonitrile.
| Compound Name | 7-[(3-chloro-2-methoxy-4-pyridinyl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(4-methoxyphenyl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-methoxy-4-pyridinyl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-methoxypyrimidin-5-yl)methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]quinoline-2-carbonitrile |
|---|---|
| PubChem CID | 158614919 |
| Molecular Formula | C113H85ClF7N17O8 |
| Molecular Weight | 1977.47 g/mol |
| Exact Mass | 1975.63 |
| IUPAC Name | 7-[(3-chloro-2-methoxy-4-pyridinyl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(4-methoxyphenyl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-methoxy-4-pyridinyl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-methoxypyrimidin-5-yl)methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]quinoline-2-carbonitrile |
| SMILES | COc1cc(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)ccn1.COc1ccc(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)cc1.COc1ncc(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)cn1.COc1nccc(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)c1Cl.Cn1cc(-c2cc(C#N)nc3cc(Cc4ccnc(C(F)(F)F)c4)ccc23)cn1 |
| InChI | InChI=1S/C24H19FN2O2.C23H17ClFN3O2.C23H18FN3O2.C22H17FN4O2.C21H14F3N5/c1-29-19-9-2-15(3-10-19)12-16-4-11-20-21(17-5-7-18(25)8-6-17)14-23(24(26)28)27-22(20)13-16;1-30-23-21(24)15(8-9-27-23)10-13-2-7-17-18(14-3-5-16(25)6-4-14)12-20(22(26)29)28-19(17)11-13;1-29-22-12-15(8-9-26-22)10-14-2-7-18-19(16-3-5-17(24)6-4-16)13-21(23(25)28)27-20(18)11-14;1-29-22-25-11-14(12-26-22)8-13-2-7-17-18(15-3-5-16(23)6-4-15)10-20(21(24)28)27-19(17)9-13;1-29-12-15(11-27-29)18-9-16(10-25)28-19-7-13(2-3-17(18)19)6-14-4-5-26-20(8-14)21(22,23)24/h2-11,13-14H,12H2,1H3,(H2,26,28);2-9,11-12H,10H2,1H3,(H2,26,29);2-9,11-13H,10H2,1H3,(H2,25,28);2-7,9-12H,8H2,1H3,(H2,24,28);2-5,7-9,11-12H,6H2,1H3 |
| InChIKey | HXGUNNLDYGCRIJ-UHFFFAOYSA-N |
| XLogP | 21.70 |
| TPSA | 379.79 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 146 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1977.47 |
| LogP ≤ 5 | 21.70 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 21 |