C92H80F4N20O7 — CID 159152915
7-(benzimidazol-1-ylmethyl)-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[[4-[cyclopropyl(hydroxy)methyl]pyrazol-1-yl]methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[5-(2-hydroxybutan-2-yl)tetrazol-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[5-(2-hydroxybutan-2-yl)tetrazol-2-yl]methyl]quinoline-2-carboxamide (PubChem CID 159152915) has the molecular formula C92H80F4N20O7 and a molecular weight of 1653.78 g/mol. Its IUPAC name is 7-(benzimidazol-1-ylmethyl)-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[[4-[cyclopropyl(hydroxy)methyl]pyrazol-1-yl]methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[5-(2-hydroxybutan-2-yl)tetrazol-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[5-(2-hydroxybutan-2-yl)tetrazol-2-yl]methyl]quinoline-2-carboxamide.
| Compound Name | 7-(benzimidazol-1-ylmethyl)-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[[4-[cyclopropyl(hydroxy)methyl]pyrazol-1-yl]methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[5-(2-hydroxybutan-2-yl)tetrazol-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[5-(2-hydroxybutan-2-yl)tetrazol-2-yl]methyl]quinoline-2-carboxamide |
|---|---|
| PubChem CID | 159152915 |
| Molecular Formula | C92H80F4N20O7 |
| Molecular Weight | 1653.78 g/mol |
| Exact Mass | 1652.65 |
| IUPAC Name | 7-(benzimidazol-1-ylmethyl)-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[[4-[cyclopropyl(hydroxy)methyl]pyrazol-1-yl]methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[5-(2-hydroxybutan-2-yl)tetrazol-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[5-(2-hydroxybutan-2-yl)tetrazol-2-yl]methyl]quinoline-2-carboxamide |
| SMILES | CCC(C)(O)c1nnn(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)n1.CCC(C)(O)c1nnnn1Cc1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3cc(C(O)C4CC4)cn3)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3cnc4ccccc43)cc2n1 |
| InChI | InChI=1S/C24H21FN4O2.C24H17FN4O.2C22H21FN6O2/c25-18-6-4-15(5-7-18)20-10-22(24(26)31)28-21-9-14(1-8-19(20)21)12-29-13-17(11-27-29)23(30)16-2-3-16;25-17-8-6-16(7-9-17)19-12-22(24(26)30)28-21-11-15(5-10-18(19)21)13-29-14-27-20-3-1-2-4-23(20)29;1-3-22(2,31)21-26-27-28-29(21)12-13-4-9-16-17(14-5-7-15(23)8-6-14)11-19(20(24)30)25-18(16)10-13;1-3-22(2,31)21-26-28-29(27-21)12-13-4-9-16-17(14-5-7-15(23)8-6-14)11-19(20(24)30)25-18(16)10-13/h1,4-11,13,16,23,30H,2-3,12H2,(H2,26,31);1-12,14H,13H2,(H2,26,30);2*4-11,31H,3,12H2,1-2H3,(H2,24,30) |
| InChIKey | KJNKQAULPFGQGR-UHFFFAOYSA-N |
| XLogP | 13.95 |
| TPSA | 407.45 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 123 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1653.78 |
| LogP ≤ 5 | 13.95 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 23 |