C133H105ClF4N26O8 — CID 159925866
7-[(3-chloro-2-methoxy-4-pyridinyl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carbonitrile;7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)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-(pyrimidin-5-ylmethyl)quinoline-2-carboxamide (PubChem CID 159925866) has the molecular formula C133H105ClF4N26O8 and a molecular weight of 2306.92 g/mol. Its IUPAC name is 7-[(3-chloro-2-methoxy-4-pyridinyl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carbonitrile;7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)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-(pyrimidin-5-ylmethyl)quinoline-2-carboxamide.
| Compound Name | 7-[(3-chloro-2-methoxy-4-pyridinyl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carbonitrile;7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)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-(pyrimidin-5-ylmethyl)quinoline-2-carboxamide |
|---|---|
| PubChem CID | 159925866 |
| Molecular Formula | C133H105ClF4N26O8 |
| Molecular Weight | 2306.92 g/mol |
| Exact Mass | 2304.82 |
| IUPAC Name | 7-[(3-chloro-2-methoxy-4-pyridinyl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carbonitrile;7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)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-(pyrimidin-5-ylmethyl)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.Cn1cc(-c2cc(C#N)nc3cc(Cc4cnc(C5CC5)nc4)ccc23)cn1.Cn1cc(-c2cc(C(N)=O)nc3cc(Cc4cnc(C5CC5)nc4)ccc23)cn1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cc3ccnc(CO)c3)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cc3cncnc3)cc2n1 |
| InChI | InChI=1S/C23H17ClFN3O2.C23H18FN3O2.C22H17FN4O2.C22H20N6O.C22H18N6.C21H15FN4O/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;24-17-4-2-16(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;1-29-22-25-11-14(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;1-28-12-16(11-26-28)18-8-20(21(23)29)27-19-7-13(2-5-17(18)19)6-14-9-24-22(25-10-14)15-3-4-15;1-28-13-17(12-26-28)20-8-18(9-23)27-21-7-14(2-5-19(20)21)6-15-10-24-22(25-11-15)16-3-4-16;22-16-4-2-15(3-5-16)18-9-20(21(23)27)26-19-8-13(1-6-17(18)19)7-14-10-24-12-25-11-14/h2-9,11-12H,10H2,1H3,(H2,26,29);1-8,10-12,28H,9,13H2,(H2,25,29);2-7,9-12H,8H2,1H3,(H2,24,28);2,5,7-12,15H,3-4,6H2,1H3,(H2,23,29);2,5,7-8,10-13,16H,3-4,6H2,1H3;1-6,8-12H,7H2,(H2,23,27) |
| InChIKey | NYZSWFHFHCSADS-UHFFFAOYSA-N |
| XLogP | 22.21 |
| TPSA | 519.81 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 29 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 172 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2306.92 |
| LogP ≤ 5 | 22.21 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 29 |