1-[4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(cyclopropylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(dimethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2,4-dioxo-7-pyrrolidin-1-yl-1H-quinazolin-3-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-7-(2,2,2-trifluoroethylamino)-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-6-(trifluoromethyl)-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(ethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methoxy-2,4-dioxo-1H-quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methylperoxysulfanyl-2,4-dioxo-1H-quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methylsulfanyl-2,4-dioxo-1H-quinazolin-3-yl)phenyl]urea

C207H148BrCl10F16N45O53S22 — CID 157157181

IUPAC1-[4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(cyclopropylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(dimethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2,4-dioxo-7-pyrrolidin-1-yl-1H-quinazolin-3-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-7-(2,2,2-trifluoroethylamino)-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-6-(trifluoromethyl)-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(ethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methoxy-2,4-dioxo-1H-quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methylperoxysulfanyl-2,4-dioxo-1H-quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methylsulfanyl-2,4-dioxo-1H-quinazolin-3-yl)phenyl]urea
SMILESCCNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3F)c(=O)[nH]c2c1.CN(C)c1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3F)c(=O)[nH]c2c1.COOSc1ccc2[nH]c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3F)c(=O)c2c1.COc1ccc2[nH]c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3F)c(=O)c2c1.CSc1ccc2[nH]c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3F)c(=O)c2c1.O=C(Nc1ccc(-n2c(=O)[nH]c3cc(N4CCCC4)ccc3c2=O)c(F)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2c(=O)[nH]c3cc(NC4CC4)ccc3c2=O)c(F)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2c(=O)[nH]c3cc(NCC(F)(F)F)ccc3c2=O)c(F)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2c(=O)[nH]c3ccc(Br)cc3c2=O)c(F)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2c(=O)[nH]c3ccc(C(F)(F)F)cc3c2=O)c(F)c1)NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C23H19ClFN5O5S2.C22H17ClFN5O5S2.C21H14ClF4N5O5S2.2C21H17ClFN5O5S2.C20H11ClF4N4O5S2.C20H14ClFN4O7S3.C20H14ClFN4O6S2.C20H14ClFN4O5S3.C19H11BrClFN4O5S2/c24-19-7-8-20(36-19)37(34,35)28-22(32)26-13-3-6-18(16(25)11-13)30-21(31)15-5-4-14(29-9-1-2-10-29)12-17(15)27-23(30)33;23-18-7-8-19(35-18)36(33,34)28-21(31)26-12-4-6-17(15(24)9-12)29-20(30)14-5-3-13(25-11-1-2-11)10-16(14)27-22(29)32;22-16-5-6-17(37-16)38(35,36)30-19(33)28-11-2-4-15(13(23)7-11)31-18(32)12-3-1-10(27-9-21(24,25)26)8-14(12)29-20(31)34;1-27(2)12-4-5-13-15(10-12)25-21(31)28(19(13)29)16-6-3-11(9-14(16)23)24-20(30)26-35(32,33)18-8-7-17(22)34-18;1-2-24-11-3-5-13-15(10-11)26-21(31)28(19(13)29)16-6-4-12(9-14(16)23)25-20(30)27-35(32,33)18-8-7-17(22)34-18;21-15-5-6-16(35-15)36(33,34)28-18(31)26-10-2-4-14(12(22)8-10)29-17(30)11-7-9(20(23,24)25)1-3-13(11)27-19(29)32;1-32-33-35-11-3-4-14-12(9-11)18(27)26(20(29)24-14)15-5-2-10(8-13(15)22)23-19(28)25-36(30,31)17-7-6-16(21)34-17;2*1-32-11-3-4-14-12(9-11)18(27)26(20(29)24-14)15-5-2-10(8-13(15)22)23-19(28)25-34(30,31)17-7-6-16(21)33-17;20-9-1-3-13-11(7-9)17(27)26(19(29)24-13)14-4-2-10(8-12(14)22)23-18(28)25-33(30,31)16-6-5-15(21)32-16/h3-8,11-12H,1-2,9-10H2,(H,27,33)(H2,26,28,32);3-11,25H,1-2H2,(H,27,32)(H2,26,28,31);1-8,27H,9H2,(H,29,34)(H2,28,30,33);3-10H,1-2H3,(H,25,31)(H2,24,26,30);3-10,24H,2H2,1H3,(H,26,31)(H2,25,27,30);1-8H,(H,27,32)(H2,26,28,31);2-9H,1H3,(H,24,29)(H2,23,25,28);2*2-9H,1H3,(H,24,29)(H2,23,25,28);1-8H,(H,24,29)(H2,23,25,28)
InChIKeyALYHKXKWIDXCHV-UHFFFAOYSA-N
MW5557.60 g/mol
LogP36.18
Rot. Bonds53

About 1-[4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(cyclopropylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(dimethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2,4-dioxo-7-pyrrolidin-1-yl-1H-quinazolin-3-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-7-(2,2,2-trifluoroethylamino)-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-6-(trifluoromethyl)-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(ethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methoxy-2,4-dioxo-1H-quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methylperoxysulfanyl-2,4-dioxo-1H-quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methylsulfanyl-2,4-dioxo-1H-quinazolin-3-yl)phenyl]urea

1-[4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(cyclopropylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(dimethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2,4-dioxo-7-pyrrolidin-1-yl-1H-quinazolin-3-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-7-(2,2,2-trifluoroethylamino)-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-6-(trifluoromethyl)-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(ethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methoxy-2,4-dioxo-1H-quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methylperoxysulfanyl-2,4-dioxo-1H-quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methylsulfanyl-2,4-dioxo-1H-quinazolin-3-yl)phenyl]urea (PubChem CID 157157181) has the molecular formula C207H148BrCl10F16N45O53S22 and a molecular weight of 5557.60 g/mol. Its IUPAC name is 1-[4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(cyclopropylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(dimethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2,4-dioxo-7-pyrrolidin-1-yl-1H-quinazolin-3-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-7-(2,2,2-trifluoroethylamino)-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-6-(trifluoromethyl)-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(ethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methoxy-2,4-dioxo-1H-quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methylperoxysulfanyl-2,4-dioxo-1H-quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methylsulfanyl-2,4-dioxo-1H-quinazolin-3-yl)phenyl]urea.

Molecular Properties

Compound Name1-[4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(cyclopropylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(dimethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2,4-dioxo-7-pyrrolidin-1-yl-1H-quinazolin-3-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-7-(2,2,2-trifluoroethylamino)-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-6-(trifluoromethyl)-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(ethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methoxy-2,4-dioxo-1H-quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methylperoxysulfanyl-2,4-dioxo-1H-quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methylsulfanyl-2,4-dioxo-1H-quinazolin-3-yl)phenyl]urea
PubChem CID157157181
Molecular FormulaC207H148BrCl10F16N45O53S22
Molecular Weight5557.60 g/mol
Exact Mass5546.99
IUPAC Name1-[4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(cyclopropylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(dimethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2,4-dioxo-7-pyrrolidin-1-yl-1H-quinazolin-3-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-7-(2,2,2-trifluoroethylamino)-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-6-(trifluoromethyl)-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(ethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methoxy-2,4-dioxo-1H-quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methylperoxysulfanyl-2,4-dioxo-1H-quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methylsulfanyl-2,4-dioxo-1H-quinazolin-3-yl)phenyl]urea
SMILESCCNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3F)c(=O)[nH]c2c1.CN(C)c1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3F)c(=O)[nH]c2c1.COOSc1ccc2[nH]c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3F)c(=O)c2c1.COc1ccc2[nH]c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3F)c(=O)c2c1.CSc1ccc2[nH]c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3F)c(=O)c2c1.O=C(Nc1ccc(-n2c(=O)[nH]c3cc(N4CCCC4)ccc3c2=O)c(F)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2c(=O)[nH]c3cc(NC4CC4)ccc3c2=O)c(F)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2c(=O)[nH]c3cc(NCC(F)(F)F)ccc3c2=O)c(F)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2c(=O)[nH]c3ccc(Br)cc3c2=O)c(F)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2c(=O)[nH]c3ccc(C(F)(F)F)cc3c2=O)c(F)c1)NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C23H19ClFN5O5S2.C22H17ClFN5O5S2.C21H14ClF4N5O5S2.2C21H17ClFN5O5S2.C20H11ClF4N4O5S2.C20H14ClFN4O7S3.C20H14ClFN4O6S2.C20H14ClFN4O5S3.C19H11BrClFN4O5S2/c24-19-7-8-20(36-19)37(34,35)28-22(32)26-13-3-6-18(16(25)11-13)30-21(31)15-5-4-14(29-9-1-2-10-29)12-17(15)27-23(30)33;23-18-7-8-19(35-18)36(33,34)28-21(31)26-12-4-6-17(15(24)9-12)29-20(30)14-5-3-13(25-11-1-2-11)10-16(14)27-22(29)32;22-16-5-6-17(37-16)38(35,36)30-19(33)28-11-2-4-15(13(23)7-11)31-18(32)12-3-1-10(27-9-21(24,25)26)8-14(12)29-20(31)34;1-27(2)12-4-5-13-15(10-12)25-21(31)28(19(13)29)16-6-3-11(9-14(16)23)24-20(30)26-35(32,33)18-8-7-17(22)34-18;1-2-24-11-3-5-13-15(10-11)26-21(31)28(19(13)29)16-6-4-12(9-14(16)23)25-20(30)27-35(32,33)18-8-7-17(22)34-18;21-15-5-6-16(35-15)36(33,34)28-18(31)26-10-2-4-14(12(22)8-10)29-17(30)11-7-9(20(23,24)25)1-3-13(11)27-19(29)32;1-32-33-35-11-3-4-14-12(9-11)18(27)26(20(29)24-14)15-5-2-10(8-13(15)22)23-19(28)25-36(30,31)17-7-6-16(21)34-17;2*1-32-11-3-4-14-12(9-11)18(27)26(20(29)24-14)15-5-2-10(8-13(15)22)23-19(28)25-34(30,31)17-7-6-16(21)33-17;20-9-1-3-13-11(7-9)17(27)26(19(29)24-13)14-4-2-10(8-12(14)22)23-18(28)25-33(30,31)16-6-5-15(21)32-16/h3-8,11-12H,1-2,9-10H2,(H,27,33)(H2,26,28,32);3-11,25H,1-2H2,(H,27,32)(H2,26,28,31);1-8,27H,9H2,(H,29,34)(H2,28,30,33);3-10H,1-2H3,(H,25,31)(H2,24,26,30);3-10,24H,2H2,1H3,(H,26,31)(H2,25,27,30);1-8H,(H,27,32)(H2,26,28,31);2-9H,1H3,(H,24,29)(H2,23,25,28);2*2-9H,1H3,(H,24,29)(H2,23,25,28);1-8H,(H,24,29)(H2,23,25,28)
InChIKeyALYHKXKWIDXCHV-UHFFFAOYSA-N
XLogP36.18
TPSA1371.56 Ų
H-Bond Donors33
H-Bond Acceptors80
Rotatable Bonds53
Heavy Atoms354
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005557.60
LogP ≤ 536.18
H-Bond Donors ≤ 533
H-Bond Acceptors ≤ 1080

Analyze 1-[4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(cyclopropylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(dimethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2,4-dioxo-7-pyrrolidin-1-yl-1H-quinazolin-3-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-7-(2,2,2-trifluoroethylamino)-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-6-(trifluoromethyl)-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(ethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methoxy-2,4-dioxo-1H-quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methylperoxysulfanyl-2,4-dioxo-1H-quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methylsulfanyl-2,4-dioxo-1H-quinazolin-3-yl)phenyl]urea with MolForge

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What is the IUPAC name of 1-[4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(cyclopropylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(dimethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2,4-dioxo-7-pyrrolidin-1-yl-1H-quinazolin-3-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-7-(2,2,2-trifluoroethylamino)-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-6-(trifluoromethyl)-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(ethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methoxy-2,4-dioxo-1H-quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methylperoxysulfanyl-2,4-dioxo-1H-quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methylsulfanyl-2,4-dioxo-1H-quinazolin-3-yl)phenyl]urea?
The IUPAC name of 1-[4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(cyclopropylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(dimethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2,4-dioxo-7-pyrrolidin-1-yl-1H-quinazolin-3-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-7-(2,2,2-trifluoroethylamino)-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-6-(trifluoromethyl)-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(ethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methoxy-2,4-dioxo-1H-quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methylperoxysulfanyl-2,4-dioxo-1H-quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methylsulfanyl-2,4-dioxo-1H-quinazolin-3-yl)phenyl]urea (CID 157157181) is 1-[4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(cyclopropylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(dimethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2,4-dioxo-7-pyrrolidin-1-yl-1H-quinazolin-3-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-7-(2,2,2-trifluoroethylamino)-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-6-(trifluoromethyl)-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(ethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methoxy-2,4-dioxo-1H-quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methylperoxysulfanyl-2,4-dioxo-1H-quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methylsulfanyl-2,4-dioxo-1H-quinazolin-3-yl)phenyl]urea.
What is the SMILES notation for 1-[4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(cyclopropylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(dimethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2,4-dioxo-7-pyrrolidin-1-yl-1H-quinazolin-3-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-7-(2,2,2-trifluoroethylamino)-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-6-(trifluoromethyl)-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(ethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methoxy-2,4-dioxo-1H-quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methylperoxysulfanyl-2,4-dioxo-1H-quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methylsulfanyl-2,4-dioxo-1H-quinazolin-3-yl)phenyl]urea?
The canonical SMILES for 1-[4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(cyclopropylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(dimethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2,4-dioxo-7-pyrrolidin-1-yl-1H-quinazolin-3-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-7-(2,2,2-trifluoroethylamino)-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-6-(trifluoromethyl)-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(ethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methoxy-2,4-dioxo-1H-quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methylperoxysulfanyl-2,4-dioxo-1H-quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methylsulfanyl-2,4-dioxo-1H-quinazolin-3-yl)phenyl]urea is CCNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3F)c(=O)[nH]c2c1.CN(C)c1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3F)c(=O)[nH]c2c1.COOSc1ccc2[nH]c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3F)c(=O)c2c1.COc1ccc2[nH]c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3F)c(=O)c2c1.CSc1ccc2[nH]c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3F)c(=O)c2c1.O=C(Nc1ccc(-n2c(=O)[nH]c3cc(N4CCCC4)ccc3c2=O)c(F)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2c(=O)[nH]c3cc(NC4CC4)ccc3c2=O)c(F)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2c(=O)[nH]c3cc(NCC(F)(F)F)ccc3c2=O)c(F)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2c(=O)[nH]c3ccc(Br)cc3c2=O)c(F)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2c(=O)[nH]c3ccc(C(F)(F)F)cc3c2=O)c(F)c1)NS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 1-[4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(cyclopropylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(dimethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2,4-dioxo-7-pyrrolidin-1-yl-1H-quinazolin-3-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-7-(2,2,2-trifluoroethylamino)-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-6-(trifluoromethyl)-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(ethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methoxy-2,4-dioxo-1H-quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methylperoxysulfanyl-2,4-dioxo-1H-quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methylsulfanyl-2,4-dioxo-1H-quinazolin-3-yl)phenyl]urea?
The InChIKey is ALYHKXKWIDXCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFN5O5S2.C22H17ClFN5O5S2.C21H14ClF4N5O5S2.2C21H17ClFN5O5S2.C20H11ClF4N4O5S2.C20H14ClFN4O7S3.C20H14ClFN4O6S2.C20H14ClFN4O5S3.C19H11BrClFN4O5S2/c24-19-7-8-20(36-19)37(34,35)28-22(32)26-13-3-6-18(16(25)11-13)30-21(31)15-5-4-14(29-9-1-2-10-29)12-17(15)27-23(30)33;23-18-7-8-19(35-18)36(33,34)28-21(31)26-12-4-6-17(15(24)9-12)29-20(30)14-5-3-13(25-11-1-2-11)10-16(14)27-22(29)32;22-16-5-6-17(37-16)38(35,36)30-19(33)28-11-2-4-15(13(23)7-11)31-18(32)12-3-1-10(27-9-21(24,25)26)8-14(12)29-20(31)34;1-27(2)12-4-5-13-15(10-12)25-21(31)28(19(13)29)16-6-3-11(9-14(16)23)24-20(30)26-35(32,33)18-8-7-17(22)34-18;1-2-24-11-3-5-13-15(10-11)26-21(31)28(19(13)29)16-6-4-12(9-14(16)23)25-20(30)27-35(32,33)18-8-7-17(22)34-18;21-15-5-6-16(35-15)36(33,34)28-18(31)26-10-2-4-14(12(22)8-10)29-17(30)11-7-9(20(23,24)25)1-3-13(11)27-19(29)32;1-32-33-35-11-3-4-14-12(9-11)18(27)26(20(29)24-14)15-5-2-10(8-13(15)22)23-19(28)25-36(30,31)17-7-6-16(21)34-17;2*1-32-11-3-4-14-12(9-11)18(27)26(20(29)24-14)15-5-2-10(8-13(15)22)23-19(28)25-34(30,31)17-7-6-16(21)33-17;20-9-1-3-13-11(7-9)17(27)26(19(29)24-13)14-4-2-10(8-12(14)22)23-18(28)25-33(30,31)16-6-5-15(21)32-16/h3-8,11-12H,1-2,9-10H2,(H,27,33)(H2,26,28,32);3-11,25H,1-2H2,(H,27,32)(H2,26,28,31);1-8,27H,9H2,(H,29,34)(H2,28,30,33);3-10H,1-2H3,(H,25,31)(H2,24,26,30);3-10,24H,2H2,1H3,(H,26,31)(H2,25,27,30);1-8H,(H,27,32)(H2,26,28,31);2-9H,1H3,(H,24,29)(H2,23,25,28);2*2-9H,1H3,(H,24,29)(H2,23,25,28);1-8H,(H,24,29)(H2,23,25,28).
What are the key properties of 1-[4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(cyclopropylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(dimethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2,4-dioxo-7-pyrrolidin-1-yl-1H-quinazolin-3-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-7-(2,2,2-trifluoroethylamino)-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-6-(trifluoromethyl)-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(ethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methoxy-2,4-dioxo-1H-quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methylperoxysulfanyl-2,4-dioxo-1H-quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methylsulfanyl-2,4-dioxo-1H-quinazolin-3-yl)phenyl]urea?
1-[4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(cyclopropylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(dimethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2,4-dioxo-7-pyrrolidin-1-yl-1H-quinazolin-3-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-7-(2,2,2-trifluoroethylamino)-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-6-(trifluoromethyl)-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(ethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methoxy-2,4-dioxo-1H-quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methylperoxysulfanyl-2,4-dioxo-1H-quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methylsulfanyl-2,4-dioxo-1H-quinazolin-3-yl)phenyl]urea has a molecular weight of 5557.60 g/mol, XLogP of 36.18, 53 rotatable bonds, 33 hydrogen bond donors, and 80 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(cyclopropylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(dimethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2,4-dioxo-7-pyrrolidin-1-yl-1H-quinazolin-3-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-7-(2,2,2-trifluoroethylamino)-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-6-(trifluoromethyl)-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(ethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methoxy-2,4-dioxo-1H-quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methylperoxysulfanyl-2,4-dioxo-1H-quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methylsulfanyl-2,4-dioxo-1H-quinazolin-3-yl)phenyl]urea is sourced from PubChem (CID 157157181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).