C87H71F3N16O7 — CID 159282861
4-(4-fluorophenyl)-7-[(4-methoxyphenyl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(5-methoxy-3-pyridinyl)methyl]quinoline-2-carboxamide;7-[(2-fluoropyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(6-methoxy-3-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide (PubChem CID 159282861) has the molecular formula C87H71F3N16O7 and a molecular weight of 1509.62 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-7-[(4-methoxyphenyl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(5-methoxy-3-pyridinyl)methyl]quinoline-2-carboxamide;7-[(2-fluoropyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(6-methoxy-3-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide.
| Compound Name | 4-(4-fluorophenyl)-7-[(4-methoxyphenyl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(5-methoxy-3-pyridinyl)methyl]quinoline-2-carboxamide;7-[(2-fluoropyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(6-methoxy-3-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide |
|---|---|
| PubChem CID | 159282861 |
| Molecular Formula | C87H71F3N16O7 |
| Molecular Weight | 1509.62 g/mol |
| Exact Mass | 1508.56 |
| IUPAC Name | 4-(4-fluorophenyl)-7-[(4-methoxyphenyl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(5-methoxy-3-pyridinyl)methyl]quinoline-2-carboxamide;7-[(2-fluoropyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(6-methoxy-3-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide |
| SMILES | COc1ccc(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)cc1.COc1ccc(Cc2ccc3c(-c4cnn(C)c4)cc(C(N)=O)nc3c2)cn1.COc1cncc(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)c1.Cn1cc(-c2cc(C(N)=O)nc3cc(Cc4cnc(F)nc4)ccc23)cn1 |
| InChI | InChI=1S/C24H19FN2O2.C23H18FN3O2.C21H19N5O2.C19H15FN6O/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;1-29-18-9-15(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;1-26-12-15(11-24-26)17-9-19(21(22)27)25-18-8-13(3-5-16(17)18)7-14-4-6-20(28-2)23-10-14;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/h2-11,13-14H,12H2,1H3,(H2,26,28);2-7,9-13H,8H2,1H3,(H2,25,28);3-6,8-12H,7H2,1-2H3,(H2,22,27);2-3,5-10H,4H2,1H3,(H2,21,27) |
| InChIKey | KZDJIKKHVLRWPF-UHFFFAOYSA-N |
| XLogP | 13.86 |
| TPSA | 338.81 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 113 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1509.62 |
| LogP ≤ 5 | 13.86 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 19 |