C114H85ClF5N17O8 — CID 158776651
7-[(3-chloro-2-methoxy-4-pyridinyl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(6-cyano-3-pyridinyl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(hydroxymethyl)-4-pyridinyl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-methoxypyrimidin-5-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(4-methyl-3-pyridinyl)methyl]quinoline-2-carboxamide (PubChem CID 158776651) has the molecular formula C114H85ClF5N17O8 and a molecular weight of 1951.49 g/mol. Its IUPAC name is 7-[(3-chloro-2-methoxy-4-pyridinyl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(6-cyano-3-pyridinyl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(hydroxymethyl)-4-pyridinyl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-methoxypyrimidin-5-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(4-methyl-3-pyridinyl)methyl]quinoline-2-carboxamide.
| Compound Name | 7-[(3-chloro-2-methoxy-4-pyridinyl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(6-cyano-3-pyridinyl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(hydroxymethyl)-4-pyridinyl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-methoxypyrimidin-5-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(4-methyl-3-pyridinyl)methyl]quinoline-2-carboxamide |
|---|---|
| PubChem CID | 158776651 |
| Molecular Formula | C114H85ClF5N17O8 |
| Molecular Weight | 1951.49 g/mol |
| Exact Mass | 1949.64 |
| IUPAC Name | 7-[(3-chloro-2-methoxy-4-pyridinyl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(6-cyano-3-pyridinyl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(hydroxymethyl)-4-pyridinyl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-methoxypyrimidin-5-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(4-methyl-3-pyridinyl)methyl]quinoline-2-carboxamide |
| SMILES | COc1ncc(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)cn1.COc1nccc(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)c1Cl.Cc1ccncc1Cc1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1.N#Cc1ccc(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)cn1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cc3ccnc(CO)c3)cc2n1 |
| InChI | InChI=1S/C23H17ClFN3O2.C23H15FN4O.C23H18FN3O2.C23H18FN3O.C22H17FN4O2/c1-30-23-21(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;24-17-5-3-16(4-6-17)20-11-22(23(26)29)28-21-10-14(2-8-19(20)21)9-15-1-7-18(12-25)27-13-15;24-17-4-2-16(3-5-17)20-12-22(23(25)29)27-21-11-14(1-6-19(20)21)9-15-7-8-26-18(10-15)13-28;1-14-8-9-26-13-17(14)10-15-2-7-19-20(16-3-5-18(24)6-4-16)12-22(23(25)28)27-21(19)11-15;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/h2-9,11-12H,10H2,1H3,(H2,26,29);1-8,10-11,13H,9H2,(H2,26,29);1-8,10-12,28H,9,13H2,(H2,25,29);2-9,11-13H,10H2,1H3,(H2,25,28);2-7,9-12H,8H2,1H3,(H2,24,28) |
| InChIKey | IQNZGYUCJDTQCR-UHFFFAOYSA-N |
| XLogP | 20.37 |
| TPSA | 419.72 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 145 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1951.49 |
| LogP ≤ 5 | 20.37 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 20 |