C106H83ClF4N22O7 — CID 159469574
7-[(2-chloropyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(5-methoxy-3-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;7-[(2-fluoropyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide (PubChem CID 159469574) has the molecular formula C106H83ClF4N22O7 and a molecular weight of 1888.42 g/mol. Its IUPAC name is 7-[(2-chloropyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(5-methoxy-3-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;7-[(2-fluoropyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide.
| Compound Name | 7-[(2-chloropyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(5-methoxy-3-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;7-[(2-fluoropyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide |
|---|---|
| PubChem CID | 159469574 |
| Molecular Formula | C106H83ClF4N22O7 |
| Molecular Weight | 1888.42 g/mol |
| Exact Mass | 1886.64 |
| IUPAC Name | 7-[(2-chloropyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(5-methoxy-3-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;7-[(2-fluoropyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide |
| SMILES | COc1cncc(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)c1.COc1ncc(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)cn1.Cc1ccncc1Cc1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1.Cn1cc(-c2cc(C(N)=O)nc3cc(Cc4cnc(Cl)nc4)ccc23)cn1.Cn1cc(-c2cc(C(N)=O)nc3cc(Cc4cnc(F)nc4)ccc23)cn1 |
| InChI | InChI=1S/C23H18FN3O2.C23H18FN3O.C22H17FN4O2.C19H15ClN6O.C19H15FN6O/c1-29-18-9-15(12-26-13-18)8-14-2-7-19-20(16-3-5-17(24)6-4-16)11-22(23(25)28)27-21(19)10-14;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;2*1-26-10-13(9-24-26)15-6-17(18(21)27)25-16-5-11(2-3-14(15)16)4-12-7-22-19(20)23-8-12/h2-7,9-13H,8H2,1H3,(H2,25,28);2-9,11-13H,10H2,1H3,(H2,25,28);2-7,9-12H,8H2,1H3,(H2,24,28);2*2-3,5-10H,4H2,1H3,(H2,21,27) |
| InChIKey | LVPZMSRSOUSYNS-UHFFFAOYSA-N |
| XLogP | 17.12 |
| TPSA | 437.12 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 140 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1888.42 |
| LogP ≤ 5 | 17.12 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 24 |