C164H201F6N25O30 — CID 173150713
6-(2-acetamidoethoxy)-4-(2-ethylanilino)-7-methoxyquinoline-3-carboxamide;6-[2-[acetyl(methyl)amino]ethoxy]-4-(2-ethylanilino)-7-methoxyquinoline-3-carboxamide;6-[2-[acetyl(propan-2-yl)amino]ethoxy]-4-(2-ethylanilino)-7-methoxyquinoline-3-carboxamide;7-[3-[acetyl(propan-2-yl)amino]propoxy]-4-[2-ethyl-3-(hydroxymethyl)anilino]-6-methoxyquinoline-3-carboxamide;4-[3-[[(1-aminocyclopentanecarbonyl)amino]methyl]-2-ethylanilino]-6,7-diethoxyquinoline-3-carboxamide;4-[2-ethyl-3-(hydroxymethyl)anilino]-6-methoxy-7-[3-[2-methylpropanoyl(propan-2-yl)amino]propoxy]quinoline-3-carboxamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 173150713) has the molecular formula C164H201F6N25O30 and a molecular weight of 3116.54 g/mol. Its IUPAC name is 6-(2-acetamidoethoxy)-4-(2-ethylanilino)-7-methoxyquinoline-3-carboxamide;6-[2-[acetyl(methyl)amino]ethoxy]-4-(2-ethylanilino)-7-methoxyquinoline-3-carboxamide;6-[2-[acetyl(propan-2-yl)amino]ethoxy]-4-(2-ethylanilino)-7-methoxyquinoline-3-carboxamide;7-[3-[acetyl(propan-2-yl)amino]propoxy]-4-[2-ethyl-3-(hydroxymethyl)anilino]-6-methoxyquinoline-3-carboxamide;4-[3-[[(1-aminocyclopentanecarbonyl)amino]methyl]-2-ethylanilino]-6,7-diethoxyquinoline-3-carboxamide;4-[2-ethyl-3-(hydroxymethyl)anilino]-6-methoxy-7-[3-[2-methylpropanoyl(propan-2-yl)amino]propoxy]quinoline-3-carboxamide;bis(2,2,2-trifluoroacetic acid).
| Compound Name | 6-(2-acetamidoethoxy)-4-(2-ethylanilino)-7-methoxyquinoline-3-carboxamide;6-[2-[acetyl(methyl)amino]ethoxy]-4-(2-ethylanilino)-7-methoxyquinoline-3-carboxamide;6-[2-[acetyl(propan-2-yl)amino]ethoxy]-4-(2-ethylanilino)-7-methoxyquinoline-3-carboxamide;7-[3-[acetyl(propan-2-yl)amino]propoxy]-4-[2-ethyl-3-(hydroxymethyl)anilino]-6-methoxyquinoline-3-carboxamide;4-[3-[[(1-aminocyclopentanecarbonyl)amino]methyl]-2-ethylanilino]-6,7-diethoxyquinoline-3-carboxamide;4-[2-ethyl-3-(hydroxymethyl)anilino]-6-methoxy-7-[3-[2-methylpropanoyl(propan-2-yl)amino]propoxy]quinoline-3-carboxamide;bis(2,2,2-trifluoroacetic acid) |
|---|---|
| PubChem CID | 173150713 |
| Molecular Formula | C164H201F6N25O30 |
| Molecular Weight | 3116.54 g/mol |
| Exact Mass | 3114.49 |
| IUPAC Name | 6-(2-acetamidoethoxy)-4-(2-ethylanilino)-7-methoxyquinoline-3-carboxamide;6-[2-[acetyl(methyl)amino]ethoxy]-4-(2-ethylanilino)-7-methoxyquinoline-3-carboxamide;6-[2-[acetyl(propan-2-yl)amino]ethoxy]-4-(2-ethylanilino)-7-methoxyquinoline-3-carboxamide;7-[3-[acetyl(propan-2-yl)amino]propoxy]-4-[2-ethyl-3-(hydroxymethyl)anilino]-6-methoxyquinoline-3-carboxamide;4-[3-[[(1-aminocyclopentanecarbonyl)amino]methyl]-2-ethylanilino]-6,7-diethoxyquinoline-3-carboxamide;4-[2-ethyl-3-(hydroxymethyl)anilino]-6-methoxy-7-[3-[2-methylpropanoyl(propan-2-yl)amino]propoxy]quinoline-3-carboxamide;bis(2,2,2-trifluoroacetic acid) |
| SMILES | CCOc1cc2ncc(C(N)=O)c(Nc3cccc(CNC(=O)C4(N)CCCC4)c3CC)c2cc1OCC.CCc1c(CO)cccc1Nc1c(C(N)=O)cnc2cc(OCCCN(C(=O)C(C)C)C(C)C)c(OC)cc12.CCc1c(CO)cccc1Nc1c(C(N)=O)cnc2cc(OCCCN(C(C)=O)C(C)C)c(OC)cc12.CCc1ccccc1Nc1c(C(N)=O)cnc2cc(OC)c(OCCN(C(C)=O)C(C)C)cc12.CCc1ccccc1Nc1c(C(N)=O)cnc2cc(OC)c(OCCN(C)C(C)=O)cc12.CCc1ccccc1Nc1c(C(N)=O)cnc2cc(OC)c(OCCNC(C)=O)cc12.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F |
| InChI | InChI=1S/C30H40N4O5.C29H37N5O4.C28H36N4O5.C26H32N4O4.C24H28N4O4.C23H26N4O4.2C2HF3O2/c1-7-21-20(17-35)10-8-11-24(21)33-28-22-14-26(38-6)27(15-25(22)32-16-23(28)29(31)36)39-13-9-12-34(19(4)5)30(37)18(2)3;1-4-19-18(16-33-28(36)29(31)12-7-8-13-29)10-9-11-22(19)34-26-20-14-24(37-5-2)25(38-6-3)15-23(20)32-17-21(26)27(30)35;1-6-20-19(16-33)9-7-10-23(20)31-27-21-13-25(36-5)26(14-24(21)30-15-22(27)28(29)35)37-12-8-11-32(17(2)3)18(4)34;1-6-18-9-7-8-10-21(18)29-25-19-13-24(34-12-11-30(16(2)3)17(4)31)23(33-5)14-22(19)28-15-20(25)26(27)32;1-5-16-8-6-7-9-19(16)27-23-17-12-22(32-11-10-28(3)15(2)29)21(31-4)13-20(17)26-14-18(23)24(25)30;1-4-15-7-5-6-8-18(15)27-22-16-11-21(31-10-9-25-14(2)28)20(30-3)12-19(16)26-13-17(22)23(24)29;2*3-2(4,5)1(6)7/h8,10-11,14-16,18-19,35H,7,9,12-13,17H2,1-6H3,(H2,31,36)(H,32,33);9-11,14-15,17H,4-8,12-13,16,31H2,1-3H3,(H2,30,35)(H,32,34)(H,33,36);7,9-10,13-15,17,33H,6,8,11-12,16H2,1-5H3,(H2,29,35)(H,30,31);7-10,13-16H,6,11-12H2,1-5H3,(H2,27,32)(H,28,29);6-9,12-14H,5,10-11H2,1-4H3,(H2,25,30)(H,26,27);5-8,11-13H,4,9-10H2,1-3H3,(H2,24,29)(H,25,28)(H,26,27);2*(H,6,7) |
| InChIKey | NRCRKYXPGNNEAO-UHFFFAOYSA-N |
| XLogP | 25.51 |
| TPSA | 799.34 Ų |
| H-Bond Donors | 19 |
| H-Bond Acceptors | 41 |
| Rotatable Bonds | 64 |
| Heavy Atoms | 225 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3116.54 |
| LogP ≤ 5 | 25.51 |
| H-Bond Donors ≤ 5 | 19 |
| H-Bond Acceptors ≤ 10 | 41 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
|---|