3-bromo-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]benzamide;3-bromo-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]benzamide;3-chloro-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]benzamide;3-chloro-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamothioyl]benzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]-3-fluorobenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamothioyl]-3-fluorobenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]-3-methoxybenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamothioyl]-3-methoxybenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]-3-methylbenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamothioyl]-3-methylbenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-3-methoxybenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-3-(trifluoromethyl)benzamide

C306H246Br2Cl2F14N36O51S12 — CID 161487185

IUPAC3-bromo-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]benzamide;3-bromo-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]benzamide;3-chloro-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]benzamide;3-chloro-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamothioyl]benzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]-3-fluorobenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamothioyl]-3-fluorobenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]-3-methoxybenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamothioyl]-3-methoxybenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]-3-methylbenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamothioyl]-3-methylbenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-3-methoxybenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-3-(trifluoromethyl)benzamide
SMILESCOc1cc2nccc(Oc3ccc(NC(=S)NC(=O)c4cccc(Br)c4)c(F)c3)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)c4cccc(Br)c4)cc3)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)c4cccc(C(F)(F)F)c4)cc3)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)c4cccc(C)c4)c(F)c3)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)c4cccc(C)c4)cc3F)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)c4cccc(Cl)c4)c(F)c3)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)c4cccc(Cl)c4)cc3F)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)c4cccc(F)c4)c(F)c3)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)c4cccc(F)c4)cc3F)c2cc1OC.COc1cccc(C(=O)NC(=S)Nc2ccc(Oc3ccnc4cc(OC)c(OC)cc34)c(F)c2)c1.COc1cccc(C(=O)NC(=S)Nc2ccc(Oc3ccnc4cc(OC)c(OC)cc34)cc2)c1.COc1cccc(C(=O)NC(=S)Nc2ccc(Oc3ccnc4cc(OC)c(OC)cc34)cc2F)c1
InChIInChI=1S/C26H20F3N3O4S.2C26H22FN3O5S.2C26H22FN3O4S.C26H23N3O5S.C25H19BrFN3O4S.C25H20BrN3O4S.2C25H19ClFN3O4S.2C25H19F2N3O4S/c1-34-22-13-19-20(14-23(22)35-2)30-11-10-21(19)36-18-8-6-17(7-9-18)31-25(37)32-24(33)15-4-3-5-16(12-15)26(27,28)29;1-32-17-6-4-5-15(11-17)25(31)30-26(36)29-16-7-8-22(19(27)12-16)35-21-9-10-28-20-14-24(34-3)23(33-2)13-18(20)21;1-32-16-6-4-5-15(11-16)25(31)30-26(36)29-20-8-7-17(12-19(20)27)35-22-9-10-28-21-14-24(34-3)23(33-2)13-18(21)22;1-15-5-4-6-16(11-15)25(31)30-26(35)29-17-7-8-22(19(27)12-17)34-21-9-10-28-20-14-24(33-3)23(32-2)13-18(20)21;1-15-5-4-6-16(11-15)25(31)30-26(35)29-20-8-7-17(12-19(20)27)34-22-9-10-28-21-14-24(33-3)23(32-2)13-18(21)22;1-31-19-6-4-5-16(13-19)25(30)29-26(35)28-17-7-9-18(10-8-17)34-22-11-12-27-21-15-24(33-3)23(32-2)14-20(21)22;1-32-22-12-17-20(13-23(22)33-2)28-9-8-21(17)34-16-6-7-19(18(27)11-16)29-25(35)30-24(31)14-4-3-5-15(26)10-14;1-31-22-13-19-20(14-23(22)32-2)27-11-10-21(19)33-18-8-6-17(7-9-18)28-25(34)29-24(30)15-4-3-5-16(26)12-15;1-32-22-12-17-19(13-23(22)33-2)28-9-8-20(17)34-21-7-6-16(11-18(21)27)29-25(35)30-24(31)14-4-3-5-15(26)10-14;1-32-22-12-17-20(13-23(22)33-2)28-9-8-21(17)34-16-6-7-19(18(27)11-16)29-25(35)30-24(31)14-4-3-5-15(26)10-14;1-32-22-12-17-19(13-23(22)33-2)28-9-8-20(17)34-21-7-6-16(11-18(21)27)29-25(35)30-24(31)14-4-3-5-15(26)10-14;1-32-22-12-17-20(13-23(22)33-2)28-9-8-21(17)34-16-6-7-19(18(27)11-16)29-25(35)30-24(31)14-4-3-5-15(26)10-14/h3-14H,1-2H3,(H2,31,32,33,37);2*4-14H,1-3H3,(H2,29,30,31,36);2*4-14H,1-3H3,(H2,29,30,31,35);4-15H,1-3H3,(H2,28,29,30,35);3-13H,1-2H3,(H2,29,30,31,35);3-14H,1-2H3,(H2,28,29,30,34);4*3-13H,1-2H3,(H2,29,30,31,35)
InChIKeyWFCYRUYGTAXSDR-UHFFFAOYSA-N
MW6125.03 g/mol
LogP68.08
Rot. Bonds75

About 3-bromo-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]benzamide;3-bromo-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]benzamide;3-chloro-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]benzamide;3-chloro-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamothioyl]benzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]-3-fluorobenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamothioyl]-3-fluorobenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]-3-methoxybenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamothioyl]-3-methoxybenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]-3-methylbenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamothioyl]-3-methylbenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-3-methoxybenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-3-(trifluoromethyl)benzamide

3-bromo-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]benzamide;3-bromo-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]benzamide;3-chloro-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]benzamide;3-chloro-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamothioyl]benzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]-3-fluorobenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamothioyl]-3-fluorobenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]-3-methoxybenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamothioyl]-3-methoxybenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]-3-methylbenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamothioyl]-3-methylbenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-3-methoxybenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-3-(trifluoromethyl)benzamide (PubChem CID 161487185) has the molecular formula C306H246Br2Cl2F14N36O51S12 and a molecular weight of 6125.03 g/mol. Its IUPAC name is 3-bromo-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]benzamide;3-bromo-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]benzamide;3-chloro-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]benzamide;3-chloro-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamothioyl]benzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]-3-fluorobenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamothioyl]-3-fluorobenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]-3-methoxybenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamothioyl]-3-methoxybenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]-3-methylbenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamothioyl]-3-methylbenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-3-methoxybenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-bromo-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]benzamide;3-bromo-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]benzamide;3-chloro-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]benzamide;3-chloro-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamothioyl]benzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]-3-fluorobenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamothioyl]-3-fluorobenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]-3-methoxybenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamothioyl]-3-methoxybenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]-3-methylbenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamothioyl]-3-methylbenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-3-methoxybenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-3-(trifluoromethyl)benzamide
PubChem CID161487185
Molecular FormulaC306H246Br2Cl2F14N36O51S12
Molecular Weight6125.03 g/mol
Exact Mass6117.19
IUPAC Name3-bromo-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]benzamide;3-bromo-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]benzamide;3-chloro-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]benzamide;3-chloro-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamothioyl]benzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]-3-fluorobenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamothioyl]-3-fluorobenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]-3-methoxybenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamothioyl]-3-methoxybenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]-3-methylbenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamothioyl]-3-methylbenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-3-methoxybenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-3-(trifluoromethyl)benzamide
SMILESCOc1cc2nccc(Oc3ccc(NC(=S)NC(=O)c4cccc(Br)c4)c(F)c3)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)c4cccc(Br)c4)cc3)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)c4cccc(C(F)(F)F)c4)cc3)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)c4cccc(C)c4)c(F)c3)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)c4cccc(C)c4)cc3F)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)c4cccc(Cl)c4)c(F)c3)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)c4cccc(Cl)c4)cc3F)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)c4cccc(F)c4)c(F)c3)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)c4cccc(F)c4)cc3F)c2cc1OC.COc1cccc(C(=O)NC(=S)Nc2ccc(Oc3ccnc4cc(OC)c(OC)cc34)c(F)c2)c1.COc1cccc(C(=O)NC(=S)Nc2ccc(Oc3ccnc4cc(OC)c(OC)cc34)cc2)c1.COc1cccc(C(=O)NC(=S)Nc2ccc(Oc3ccnc4cc(OC)c(OC)cc34)cc2F)c1
InChIInChI=1S/C26H20F3N3O4S.2C26H22FN3O5S.2C26H22FN3O4S.C26H23N3O5S.C25H19BrFN3O4S.C25H20BrN3O4S.2C25H19ClFN3O4S.2C25H19F2N3O4S/c1-34-22-13-19-20(14-23(22)35-2)30-11-10-21(19)36-18-8-6-17(7-9-18)31-25(37)32-24(33)15-4-3-5-16(12-15)26(27,28)29;1-32-17-6-4-5-15(11-17)25(31)30-26(36)29-16-7-8-22(19(27)12-16)35-21-9-10-28-20-14-24(34-3)23(33-2)13-18(20)21;1-32-16-6-4-5-15(11-16)25(31)30-26(36)29-20-8-7-17(12-19(20)27)35-22-9-10-28-21-14-24(34-3)23(33-2)13-18(21)22;1-15-5-4-6-16(11-15)25(31)30-26(35)29-17-7-8-22(19(27)12-17)34-21-9-10-28-20-14-24(33-3)23(32-2)13-18(20)21;1-15-5-4-6-16(11-15)25(31)30-26(35)29-20-8-7-17(12-19(20)27)34-22-9-10-28-21-14-24(33-3)23(32-2)13-18(21)22;1-31-19-6-4-5-16(13-19)25(30)29-26(35)28-17-7-9-18(10-8-17)34-22-11-12-27-21-15-24(33-3)23(32-2)14-20(21)22;1-32-22-12-17-20(13-23(22)33-2)28-9-8-21(17)34-16-6-7-19(18(27)11-16)29-25(35)30-24(31)14-4-3-5-15(26)10-14;1-31-22-13-19-20(14-23(22)32-2)27-11-10-21(19)33-18-8-6-17(7-9-18)28-25(34)29-24(30)15-4-3-5-16(26)12-15;1-32-22-12-17-19(13-23(22)33-2)28-9-8-20(17)34-21-7-6-16(11-18(21)27)29-25(35)30-24(31)14-4-3-5-15(26)10-14;1-32-22-12-17-20(13-23(22)33-2)28-9-8-21(17)34-16-6-7-19(18(27)11-16)29-25(35)30-24(31)14-4-3-5-15(26)10-14;1-32-22-12-17-19(13-23(22)33-2)28-9-8-20(17)34-21-7-6-16(11-18(21)27)29-25(35)30-24(31)14-4-3-5-15(26)10-14;1-32-22-12-17-20(13-23(22)33-2)28-9-8-21(17)34-16-6-7-19(18(27)11-16)29-25(35)30-24(31)14-4-3-5-15(26)10-14/h3-14H,1-2H3,(H2,31,32,33,37);2*4-14H,1-3H3,(H2,29,30,31,36);2*4-14H,1-3H3,(H2,29,30,31,35);4-15H,1-3H3,(H2,28,29,30,35);3-13H,1-2H3,(H2,29,30,31,35);3-14H,1-2H3,(H2,28,29,30,34);4*3-13H,1-2H3,(H2,29,30,31,35)
InChIKeyWFCYRUYGTAXSDR-UHFFFAOYSA-N
XLogP68.08
TPSA1008.21 Ų
H-Bond Donors24
H-Bond Acceptors75
Rotatable Bonds75
Heavy Atoms423
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006125.03
LogP ≤ 568.08
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1075

Analyze 3-bromo-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]benzamide;3-bromo-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]benzamide;3-chloro-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]benzamide;3-chloro-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamothioyl]benzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]-3-fluorobenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamothioyl]-3-fluorobenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]-3-methoxybenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamothioyl]-3-methoxybenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]-3-methylbenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamothioyl]-3-methylbenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-3-methoxybenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-3-(trifluoromethyl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]benzamide;3-bromo-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]benzamide;3-chloro-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]benzamide;3-chloro-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamothioyl]benzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]-3-fluorobenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamothioyl]-3-fluorobenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]-3-methoxybenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamothioyl]-3-methoxybenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]-3-methylbenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamothioyl]-3-methylbenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-3-methoxybenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 3-bromo-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]benzamide;3-bromo-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]benzamide;3-chloro-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]benzamide;3-chloro-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamothioyl]benzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]-3-fluorobenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamothioyl]-3-fluorobenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]-3-methoxybenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamothioyl]-3-methoxybenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]-3-methylbenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamothioyl]-3-methylbenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-3-methoxybenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-3-(trifluoromethyl)benzamide (CID 161487185) is 3-bromo-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]benzamide;3-bromo-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]benzamide;3-chloro-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]benzamide;3-chloro-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamothioyl]benzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]-3-fluorobenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamothioyl]-3-fluorobenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]-3-methoxybenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamothioyl]-3-methoxybenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]-3-methylbenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamothioyl]-3-methylbenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-3-methoxybenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-bromo-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]benzamide;3-bromo-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]benzamide;3-chloro-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]benzamide;3-chloro-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamothioyl]benzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]-3-fluorobenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamothioyl]-3-fluorobenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]-3-methoxybenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamothioyl]-3-methoxybenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]-3-methylbenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamothioyl]-3-methylbenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-3-methoxybenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 3-bromo-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]benzamide;3-bromo-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]benzamide;3-chloro-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]benzamide;3-chloro-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamothioyl]benzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]-3-fluorobenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamothioyl]-3-fluorobenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]-3-methoxybenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamothioyl]-3-methoxybenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]-3-methylbenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamothioyl]-3-methylbenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-3-methoxybenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-3-(trifluoromethyl)benzamide is COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)c4cccc(Br)c4)c(F)c3)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)c4cccc(Br)c4)cc3)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)c4cccc(C(F)(F)F)c4)cc3)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)c4cccc(C)c4)c(F)c3)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)c4cccc(C)c4)cc3F)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)c4cccc(Cl)c4)c(F)c3)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)c4cccc(Cl)c4)cc3F)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)c4cccc(F)c4)c(F)c3)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)c4cccc(F)c4)cc3F)c2cc1OC.COc1cccc(C(=O)NC(=S)Nc2ccc(Oc3ccnc4cc(OC)c(OC)cc34)c(F)c2)c1.COc1cccc(C(=O)NC(=S)Nc2ccc(Oc3ccnc4cc(OC)c(OC)cc34)cc2)c1.COc1cccc(C(=O)NC(=S)Nc2ccc(Oc3ccnc4cc(OC)c(OC)cc34)cc2F)c1.
What is the InChIKey of 3-bromo-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]benzamide;3-bromo-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]benzamide;3-chloro-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]benzamide;3-chloro-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamothioyl]benzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]-3-fluorobenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamothioyl]-3-fluorobenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]-3-methoxybenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamothioyl]-3-methoxybenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]-3-methylbenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamothioyl]-3-methylbenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-3-methoxybenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-3-(trifluoromethyl)benzamide?
The InChIKey is WFCYRUYGTAXSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F3N3O4S.2C26H22FN3O5S.2C26H22FN3O4S.C26H23N3O5S.C25H19BrFN3O4S.C25H20BrN3O4S.2C25H19ClFN3O4S.2C25H19F2N3O4S/c1-34-22-13-19-20(14-23(22)35-2)30-11-10-21(19)36-18-8-6-17(7-9-18)31-25(37)32-24(33)15-4-3-5-16(12-15)26(27,28)29;1-32-17-6-4-5-15(11-17)25(31)30-26(36)29-16-7-8-22(19(27)12-16)35-21-9-10-28-20-14-24(34-3)23(33-2)13-18(20)21;1-32-16-6-4-5-15(11-16)25(31)30-26(36)29-20-8-7-17(12-19(20)27)35-22-9-10-28-21-14-24(34-3)23(33-2)13-18(21)22;1-15-5-4-6-16(11-15)25(31)30-26(35)29-17-7-8-22(19(27)12-17)34-21-9-10-28-20-14-24(33-3)23(32-2)13-18(20)21;1-15-5-4-6-16(11-15)25(31)30-26(35)29-20-8-7-17(12-19(20)27)34-22-9-10-28-21-14-24(33-3)23(32-2)13-18(21)22;1-31-19-6-4-5-16(13-19)25(30)29-26(35)28-17-7-9-18(10-8-17)34-22-11-12-27-21-15-24(33-3)23(32-2)14-20(21)22;1-32-22-12-17-20(13-23(22)33-2)28-9-8-21(17)34-16-6-7-19(18(27)11-16)29-25(35)30-24(31)14-4-3-5-15(26)10-14;1-31-22-13-19-20(14-23(22)32-2)27-11-10-21(19)33-18-8-6-17(7-9-18)28-25(34)29-24(30)15-4-3-5-16(26)12-15;1-32-22-12-17-19(13-23(22)33-2)28-9-8-20(17)34-21-7-6-16(11-18(21)27)29-25(35)30-24(31)14-4-3-5-15(26)10-14;1-32-22-12-17-20(13-23(22)33-2)28-9-8-21(17)34-16-6-7-19(18(27)11-16)29-25(35)30-24(31)14-4-3-5-15(26)10-14;1-32-22-12-17-19(13-23(22)33-2)28-9-8-20(17)34-21-7-6-16(11-18(21)27)29-25(35)30-24(31)14-4-3-5-15(26)10-14;1-32-22-12-17-20(13-23(22)33-2)28-9-8-21(17)34-16-6-7-19(18(27)11-16)29-25(35)30-24(31)14-4-3-5-15(26)10-14/h3-14H,1-2H3,(H2,31,32,33,37);2*4-14H,1-3H3,(H2,29,30,31,36);2*4-14H,1-3H3,(H2,29,30,31,35);4-15H,1-3H3,(H2,28,29,30,35);3-13H,1-2H3,(H2,29,30,31,35);3-14H,1-2H3,(H2,28,29,30,34);4*3-13H,1-2H3,(H2,29,30,31,35).
What are the key properties of 3-bromo-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]benzamide;3-bromo-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]benzamide;3-chloro-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]benzamide;3-chloro-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamothioyl]benzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]-3-fluorobenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamothioyl]-3-fluorobenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]-3-methoxybenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamothioyl]-3-methoxybenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]-3-methylbenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamothioyl]-3-methylbenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-3-methoxybenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-3-(trifluoromethyl)benzamide?
3-bromo-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]benzamide;3-bromo-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]benzamide;3-chloro-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]benzamide;3-chloro-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamothioyl]benzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]-3-fluorobenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamothioyl]-3-fluorobenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]-3-methoxybenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamothioyl]-3-methoxybenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]-3-methylbenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamothioyl]-3-methylbenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-3-methoxybenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-3-(trifluoromethyl)benzamide has a molecular weight of 6125.03 g/mol, XLogP of 68.08, 75 rotatable bonds, 24 hydrogen bond donors, and 75 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]benzamide;3-bromo-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]benzamide;3-chloro-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]benzamide;3-chloro-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamothioyl]benzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]-3-fluorobenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamothioyl]-3-fluorobenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]-3-methoxybenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamothioyl]-3-methoxybenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]-3-methylbenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamothioyl]-3-methylbenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-3-methoxybenzamide;N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 161487185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).