C237H179Cl13F15N69O47S24 — CID 157468703
1-[3-chloro-5-fluoro-4-[7-(methylamino)-4-oxoquinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfanyl-3-[4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-(trifluoromethyl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfanyl-3-[3-methyl-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3,5-difluoro-4-[7-(methylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[7-(methylamino)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-5-(trifluoromethyl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[7-(methylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[5-fluoro-6-[7-(methylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-methoxy-2-[7-(methylamino)-4-oxoquinazolin-3-yl]pyrimidin-5-yl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[5-[7-(methylamino)-4-oxopyrido[2,3-d]pyrimidin-3-yl]pyrazin-2-yl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(methylamino)-4-oxoquinazolin-3-yl]pyridazin-3-yl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(methylamino)-4-oxoquinazolin-3-yl]-3-(trifluoromethyl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-methyl-4-[7-(methylamino)-4-oxoquinazolin-3-yl]phenyl]urea (PubChem CID 157468703) has the molecular formula C237H179Cl13F15N69O47S24 and a molecular weight of 6260.94 g/mol. Its IUPAC name is 1-[3-chloro-5-fluoro-4-[7-(methylamino)-4-oxoquinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfanyl-3-[4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-(trifluoromethyl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfanyl-3-[3-methyl-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3,5-difluoro-4-[7-(methylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[7-(methylamino)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-5-(trifluoromethyl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[7-(methylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[5-fluoro-6-[7-(methylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-methoxy-2-[7-(methylamino)-4-oxoquinazolin-3-yl]pyrimidin-5-yl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[5-[7-(methylamino)-4-oxopyrido[2,3-d]pyrimidin-3-yl]pyrazin-2-yl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(methylamino)-4-oxoquinazolin-3-yl]pyridazin-3-yl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(methylamino)-4-oxoquinazolin-3-yl]-3-(trifluoromethyl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-methyl-4-[7-(methylamino)-4-oxoquinazolin-3-yl]phenyl]urea.
| Compound Name | 1-[3-chloro-5-fluoro-4-[7-(methylamino)-4-oxoquinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfanyl-3-[4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-(trifluoromethyl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfanyl-3-[3-methyl-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3,5-difluoro-4-[7-(methylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[7-(methylamino)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-5-(trifluoromethyl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[7-(methylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[5-fluoro-6-[7-(methylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-methoxy-2-[7-(methylamino)-4-oxoquinazolin-3-yl]pyrimidin-5-yl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[5-[7-(methylamino)-4-oxopyrido[2,3-d]pyrimidin-3-yl]pyrazin-2-yl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(methylamino)-4-oxoquinazolin-3-yl]pyridazin-3-yl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(methylamino)-4-oxoquinazolin-3-yl]-3-(trifluoromethyl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-methyl-4-[7-(methylamino)-4-oxoquinazolin-3-yl]phenyl]urea |
|---|---|
| PubChem CID | 157468703 |
| Molecular Formula | C237H179Cl13F15N69O47S24 |
| Molecular Weight | 6260.94 g/mol |
| Exact Mass | 6249.27 |
| IUPAC Name | 1-[3-chloro-5-fluoro-4-[7-(methylamino)-4-oxoquinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfanyl-3-[4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-(trifluoromethyl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfanyl-3-[3-methyl-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3,5-difluoro-4-[7-(methylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[7-(methylamino)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-5-(trifluoromethyl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[7-(methylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[5-fluoro-6-[7-(methylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-methoxy-2-[7-(methylamino)-4-oxoquinazolin-3-yl]pyrimidin-5-yl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[5-[7-(methylamino)-4-oxopyrido[2,3-d]pyrimidin-3-yl]pyrazin-2-yl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(methylamino)-4-oxoquinazolin-3-yl]pyridazin-3-yl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(methylamino)-4-oxoquinazolin-3-yl]-3-(trifluoromethyl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-methyl-4-[7-(methylamino)-4-oxoquinazolin-3-yl]phenyl]urea |
| SMILES | CNc1ccc2c(=O)n(-c3c(F)cc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3C(F)(F)F)cnc2n1.CNc1ccc2c(=O)n(-c3c(F)cc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3Cl)cnc2c1.CNc1ccc2c(=O)n(-c3c(F)cc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3F)cnc2c1.CNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3C(F)(F)F)cnc2c1.CNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3C)cnc2c1.CNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3F)cnc2c1.CNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)nn3)cnc2c1.CNc1ccc2c(=O)n(-c3ccc(NC(=O)NSc4ccc(Cl)s4)cc3C(F)(F)F)c(=O)[nH]c2c1.CNc1ccc2c(=O)n(-c3ccc(NC(=O)NSc4ccc(Cl)s4)cc3C)c(=O)[nH]c2c1.CNc1ccc2c(=O)n(-c3cnc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cn3)cnc2n1.CNc1ccc2c(=O)n(-c3ncc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)c(OC)n3)cnc2c1.CNc1ccc2c(=O)n(-c3ncc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3F)cnc2c1 |
| InChI | InChI=1S/C21H15ClF3N5O4S2.C21H15ClF3N5O3S2.C21H18ClN5O4S2.C21H18ClN5O3S2.C20H14Cl2FN5O4S2.C20H13ClF4N6O4S2.C20H14ClF2N5O4S2.C20H15ClFN5O4S2.C19H14ClFN6O4S2.C19H16ClN7O5S2.C18H14ClN7O4S2.C17H13ClN8O4S2/c1-26-11-2-4-13-15(9-11)27-10-30(19(13)31)16-5-3-12(8-14(16)21(23,24)25)28-20(32)29-36(33,34)18-7-6-17(22)35-18;1-26-10-2-4-12-14(9-10)28-20(33)30(18(12)31)15-5-3-11(8-13(15)21(23,24)25)27-19(32)29-35-17-7-6-16(22)34-17;1-12-9-14(25-21(29)26-33(30,31)19-8-7-18(22)32-19)4-6-17(12)27-11-24-16-10-13(23-2)3-5-15(16)20(27)28;1-11-9-13(24-20(29)26-32-18-8-7-17(22)31-18)4-6-16(11)27-19(28)14-5-3-12(23-2)10-15(14)25-21(27)30;1-24-10-2-3-12-15(8-10)25-9-28(19(12)29)18-13(21)6-11(7-14(18)23)26-20(30)27-34(31,32)17-5-4-16(22)33-17;1-26-14-4-2-10-17(29-14)27-8-31(18(10)32)16-11(20(23,24)25)6-9(7-12(16)22)28-19(33)30-37(34,35)15-5-3-13(21)36-15;1-24-10-2-3-12-15(8-10)25-9-28(19(12)29)18-13(22)6-11(7-14(18)23)26-20(30)27-34(31,32)17-5-4-16(21)33-17;1-23-11-2-4-13-15(9-11)24-10-27(19(13)28)16-5-3-12(8-14(16)22)25-20(29)26-33(30,31)18-7-6-17(21)32-18;1-22-10-2-3-12-14(7-10)24-9-27(18(12)28)17-13(21)6-11(8-23-17)25-19(29)26-33(30,31)16-5-4-15(20)32-16;1-21-10-3-4-11-12(7-10)23-9-27(17(11)28)18-22-8-13(16(25-18)32-2)24-19(29)26-34(30,31)15-6-5-14(20)33-15;1-20-10-2-3-11-12(8-10)21-9-26(17(11)27)15-6-5-14(23-24-15)22-18(28)25-32(29,30)16-7-4-13(19)31-16;1-19-11-4-2-9-15(23-11)22-8-26(16(9)27)13-7-20-12(6-21-13)24-17(28)25-32(29,30)14-5-3-10(18)31-14/h2-10,26H,1H3,(H2,28,29,32);2-9,26H,1H3,(H,28,33)(H2,27,29,32);3-11,23H,1-2H3,(H2,25,26,29);3-10,23H,1-2H3,(H,25,30)(H2,24,26,29);2-9,24H,1H3,(H2,26,27,30);2-8H,1H3,(H,26,29)(H2,28,30,33);2-9,24H,1H3,(H2,26,27,30);2-10,23H,1H3,(H2,25,26,29);2-9,22H,1H3,(H2,25,26,29);3-9,21H,1-2H3,(H2,24,26,29);2-9,20H,1H3,(H2,22,23,25,28);2-8H,1H3,(H,19,23)(H2,20,24,25,28) |
| InChIKey | BUTROAZCTBVOOU-UHFFFAOYSA-N |
| XLogP | 44.78 |
| TPSA | 1563.18 Ų |
| H-Bond Donors | 38 |
| H-Bond Acceptors | 104 |
| Rotatable Bonds | 61 |
| Heavy Atoms | 405 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 6260.94 |
| LogP ≤ 5 | 44.78 |
| H-Bond Donors ≤ 5 | 38 |
| H-Bond Acceptors ≤ 10 | 104 |