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

C207H158BrCl10F6N45O43S22 — CID 158477454

IUPAC1-[4-(6-bromo-4-oxoquinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(cyclopropylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(dimethylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(ethylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-methoxy-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-methylperoxysulfanyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-methylsulfanyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(4-oxo-7-pyrrolidin-1-ylquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[4-oxo-6-(trifluoromethyl)quinazolin-3-yl]phenyl]urea
SMILESCCNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3)cnc2c1.CN(C)c1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3)cnc2c1.COOSc1ccc2ncn(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3)c(=O)c2c1.COc1ccc2ncn(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3)c(=O)c2c1.CSc1ccc2ncn(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3)c(=O)c2c1.O=C(Nc1ccc(-n2cnc3cc(N4CCCC4)ccc3c2=O)cc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2cnc3cc(NC4CC4)ccc3c2=O)cc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2cnc3cc(NCC(F)(F)F)ccc3c2=O)cc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2cnc3ccc(Br)cc3c2=O)cc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2cnc3ccc(C(F)(F)F)cc3c2=O)cc1)NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C23H20ClN5O4S2.C22H18ClN5O4S2.C21H15ClF3N5O4S2.2C21H18ClN5O4S2.C20H12ClF3N4O4S2.C20H15ClN4O6S3.C20H15ClN4O5S2.C20H15ClN4O4S3.C19H12BrClN4O4S2/c24-20-9-10-21(34-20)35(32,33)27-23(31)26-15-3-5-16(6-4-15)29-14-25-19-13-17(28-11-1-2-12-28)7-8-18(19)22(29)30;23-19-9-10-20(33-19)34(31,32)27-22(30)26-14-3-6-16(7-4-14)28-12-24-18-11-15(25-13-1-2-13)5-8-17(18)21(28)29;22-17-7-8-18(35-17)36(33,34)29-20(32)28-12-1-4-14(5-2-12)30-11-27-16-9-13(26-10-21(23,24)25)3-6-15(16)19(30)31;1-26(2)15-7-8-16-17(11-15)23-12-27(20(16)28)14-5-3-13(4-6-14)24-21(29)25-33(30,31)19-10-9-18(22)32-19;1-2-23-14-5-8-16-17(11-14)24-12-27(20(16)28)15-6-3-13(4-7-15)25-21(29)26-33(30,31)19-10-9-18(22)32-19;21-16-7-8-17(33-16)34(31,32)27-19(30)26-12-2-4-13(5-3-12)28-10-25-15-6-1-11(20(22,23)24)9-14(15)18(28)29;1-30-31-33-14-6-7-16-15(10-14)19(26)25(11-22-16)13-4-2-12(3-5-13)23-20(27)24-34(28,29)18-9-8-17(21)32-18;2*1-30-14-6-7-16-15(10-14)19(26)25(11-22-16)13-4-2-12(3-5-13)23-20(27)24-32(28,29)18-9-8-17(21)31-18;20-11-1-6-15-14(9-11)18(26)25(10-22-15)13-4-2-12(3-5-13)23-19(27)24-31(28,29)17-8-7-16(21)30-17/h3-10,13-14H,1-2,11-12H2,(H2,26,27,31);3-13,25H,1-2H2,(H2,26,27,30);1-9,11,26H,10H2,(H2,28,29,32);3-12H,1-2H3,(H2,24,25,29);3-12,23H,2H2,1H3,(H2,25,26,29);1-10H,(H2,26,27,30);2-11H,1H3,(H2,23,24,27);2*2-11H,1H3,(H2,23,24,27);1-10H,(H2,23,24,27)
InChIKeyHHCLVBBMIWPGSZ-UHFFFAOYSA-N
MW5217.71 g/mol
LogP41.85
Rot. Bonds53

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

1-[4-(6-bromo-4-oxoquinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(cyclopropylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(dimethylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(ethylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-methoxy-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-methylperoxysulfanyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-methylsulfanyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(4-oxo-7-pyrrolidin-1-ylquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[4-oxo-6-(trifluoromethyl)quinazolin-3-yl]phenyl]urea (PubChem CID 158477454) has the molecular formula C207H158BrCl10F6N45O43S22 and a molecular weight of 5217.71 g/mol. Its IUPAC name is 1-[4-(6-bromo-4-oxoquinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(cyclopropylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(dimethylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(ethylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-methoxy-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-methylperoxysulfanyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-methylsulfanyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(4-oxo-7-pyrrolidin-1-ylquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[4-oxo-6-(trifluoromethyl)quinazolin-3-yl]phenyl]urea.

Molecular Properties

Compound Name1-[4-(6-bromo-4-oxoquinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(cyclopropylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(dimethylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(ethylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-methoxy-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-methylperoxysulfanyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-methylsulfanyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(4-oxo-7-pyrrolidin-1-ylquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[4-oxo-6-(trifluoromethyl)quinazolin-3-yl]phenyl]urea
PubChem CID158477454
Molecular FormulaC207H158BrCl10F6N45O43S22
Molecular Weight5217.71 g/mol
Exact Mass5207.14
IUPAC Name1-[4-(6-bromo-4-oxoquinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(cyclopropylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(dimethylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(ethylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-methoxy-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-methylperoxysulfanyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-methylsulfanyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(4-oxo-7-pyrrolidin-1-ylquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[4-oxo-6-(trifluoromethyl)quinazolin-3-yl]phenyl]urea
SMILESCCNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3)cnc2c1.CN(C)c1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3)cnc2c1.COOSc1ccc2ncn(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3)c(=O)c2c1.COc1ccc2ncn(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3)c(=O)c2c1.CSc1ccc2ncn(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3)c(=O)c2c1.O=C(Nc1ccc(-n2cnc3cc(N4CCCC4)ccc3c2=O)cc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2cnc3cc(NC4CC4)ccc3c2=O)cc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2cnc3cc(NCC(F)(F)F)ccc3c2=O)cc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2cnc3ccc(Br)cc3c2=O)cc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2cnc3ccc(C(F)(F)F)cc3c2=O)cc1)NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C23H20ClN5O4S2.C22H18ClN5O4S2.C21H15ClF3N5O4S2.2C21H18ClN5O4S2.C20H12ClF3N4O4S2.C20H15ClN4O6S3.C20H15ClN4O5S2.C20H15ClN4O4S3.C19H12BrClN4O4S2/c24-20-9-10-21(34-20)35(32,33)27-23(31)26-15-3-5-16(6-4-15)29-14-25-19-13-17(28-11-1-2-12-28)7-8-18(19)22(29)30;23-19-9-10-20(33-19)34(31,32)27-22(30)26-14-3-6-16(7-4-14)28-12-24-18-11-15(25-13-1-2-13)5-8-17(18)21(28)29;22-17-7-8-18(35-17)36(33,34)29-20(32)28-12-1-4-14(5-2-12)30-11-27-16-9-13(26-10-21(23,24)25)3-6-15(16)19(30)31;1-26(2)15-7-8-16-17(11-15)23-12-27(20(16)28)14-5-3-13(4-6-14)24-21(29)25-33(30,31)19-10-9-18(22)32-19;1-2-23-14-5-8-16-17(11-14)24-12-27(20(16)28)15-6-3-13(4-7-15)25-21(29)26-33(30,31)19-10-9-18(22)32-19;21-16-7-8-17(33-16)34(31,32)27-19(30)26-12-2-4-13(5-3-12)28-10-25-15-6-1-11(20(22,23)24)9-14(15)18(28)29;1-30-31-33-14-6-7-16-15(10-14)19(26)25(11-22-16)13-4-2-12(3-5-13)23-20(27)24-34(28,29)18-9-8-17(21)32-18;2*1-30-14-6-7-16-15(10-14)19(26)25(11-22-16)13-4-2-12(3-5-13)23-20(27)24-32(28,29)18-9-8-17(21)31-18;20-11-1-6-15-14(9-11)18(26)25(10-22-15)13-4-2-12(3-5-13)23-19(27)24-31(28,29)17-8-7-16(21)30-17/h3-10,13-14H,1-2,11-12H2,(H2,26,27,31);3-13,25H,1-2H2,(H2,26,27,30);1-9,11,26H,10H2,(H2,28,29,32);3-12H,1-2H3,(H2,24,25,29);3-12,23H,2H2,1H3,(H2,25,26,29);1-10H,(H2,26,27,30);2-11H,1H3,(H2,23,24,27);2*2-11H,1H3,(H2,23,24,27);1-10H,(H2,23,24,27)
InChIKeyHHCLVBBMIWPGSZ-UHFFFAOYSA-N
XLogP41.85
TPSA1171.86 Ų
H-Bond Donors23
H-Bond Acceptors80
Rotatable Bonds53
Heavy Atoms334
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005217.71
LogP ≤ 541.85
H-Bond Donors ≤ 523
H-Bond Acceptors ≤ 1080

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-bromo-4-oxoquinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(cyclopropylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(dimethylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(ethylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-methoxy-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-methylperoxysulfanyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-methylsulfanyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(4-oxo-7-pyrrolidin-1-ylquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[4-oxo-6-(trifluoromethyl)quinazolin-3-yl]phenyl]urea?
The IUPAC name of 1-[4-(6-bromo-4-oxoquinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(cyclopropylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(dimethylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(ethylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-methoxy-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-methylperoxysulfanyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-methylsulfanyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(4-oxo-7-pyrrolidin-1-ylquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[4-oxo-6-(trifluoromethyl)quinazolin-3-yl]phenyl]urea (CID 158477454) is 1-[4-(6-bromo-4-oxoquinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(cyclopropylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(dimethylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(ethylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-methoxy-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-methylperoxysulfanyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-methylsulfanyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(4-oxo-7-pyrrolidin-1-ylquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[4-oxo-6-(trifluoromethyl)quinazolin-3-yl]phenyl]urea.
What is the SMILES notation for 1-[4-(6-bromo-4-oxoquinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(cyclopropylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(dimethylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(ethylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-methoxy-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-methylperoxysulfanyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-methylsulfanyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(4-oxo-7-pyrrolidin-1-ylquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[4-oxo-6-(trifluoromethyl)quinazolin-3-yl]phenyl]urea?
The canonical SMILES for 1-[4-(6-bromo-4-oxoquinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(cyclopropylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(dimethylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(ethylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-methoxy-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-methylperoxysulfanyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-methylsulfanyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(4-oxo-7-pyrrolidin-1-ylquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[4-oxo-6-(trifluoromethyl)quinazolin-3-yl]phenyl]urea is CCNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3)cnc2c1.CN(C)c1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3)cnc2c1.COOSc1ccc2ncn(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3)c(=O)c2c1.COc1ccc2ncn(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3)c(=O)c2c1.CSc1ccc2ncn(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3)c(=O)c2c1.O=C(Nc1ccc(-n2cnc3cc(N4CCCC4)ccc3c2=O)cc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2cnc3cc(NC4CC4)ccc3c2=O)cc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2cnc3cc(NCC(F)(F)F)ccc3c2=O)cc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2cnc3ccc(Br)cc3c2=O)cc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2cnc3ccc(C(F)(F)F)cc3c2=O)cc1)NS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 1-[4-(6-bromo-4-oxoquinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(cyclopropylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(dimethylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(ethylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-methoxy-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-methylperoxysulfanyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-methylsulfanyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(4-oxo-7-pyrrolidin-1-ylquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[4-oxo-6-(trifluoromethyl)quinazolin-3-yl]phenyl]urea?
The InChIKey is HHCLVBBMIWPGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN5O4S2.C22H18ClN5O4S2.C21H15ClF3N5O4S2.2C21H18ClN5O4S2.C20H12ClF3N4O4S2.C20H15ClN4O6S3.C20H15ClN4O5S2.C20H15ClN4O4S3.C19H12BrClN4O4S2/c24-20-9-10-21(34-20)35(32,33)27-23(31)26-15-3-5-16(6-4-15)29-14-25-19-13-17(28-11-1-2-12-28)7-8-18(19)22(29)30;23-19-9-10-20(33-19)34(31,32)27-22(30)26-14-3-6-16(7-4-14)28-12-24-18-11-15(25-13-1-2-13)5-8-17(18)21(28)29;22-17-7-8-18(35-17)36(33,34)29-20(32)28-12-1-4-14(5-2-12)30-11-27-16-9-13(26-10-21(23,24)25)3-6-15(16)19(30)31;1-26(2)15-7-8-16-17(11-15)23-12-27(20(16)28)14-5-3-13(4-6-14)24-21(29)25-33(30,31)19-10-9-18(22)32-19;1-2-23-14-5-8-16-17(11-14)24-12-27(20(16)28)15-6-3-13(4-7-15)25-21(29)26-33(30,31)19-10-9-18(22)32-19;21-16-7-8-17(33-16)34(31,32)27-19(30)26-12-2-4-13(5-3-12)28-10-25-15-6-1-11(20(22,23)24)9-14(15)18(28)29;1-30-31-33-14-6-7-16-15(10-14)19(26)25(11-22-16)13-4-2-12(3-5-13)23-20(27)24-34(28,29)18-9-8-17(21)32-18;2*1-30-14-6-7-16-15(10-14)19(26)25(11-22-16)13-4-2-12(3-5-13)23-20(27)24-32(28,29)18-9-8-17(21)31-18;20-11-1-6-15-14(9-11)18(26)25(10-22-15)13-4-2-12(3-5-13)23-19(27)24-31(28,29)17-8-7-16(21)30-17/h3-10,13-14H,1-2,11-12H2,(H2,26,27,31);3-13,25H,1-2H2,(H2,26,27,30);1-9,11,26H,10H2,(H2,28,29,32);3-12H,1-2H3,(H2,24,25,29);3-12,23H,2H2,1H3,(H2,25,26,29);1-10H,(H2,26,27,30);2-11H,1H3,(H2,23,24,27);2*2-11H,1H3,(H2,23,24,27);1-10H,(H2,23,24,27).
What are the key properties of 1-[4-(6-bromo-4-oxoquinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(cyclopropylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(dimethylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(ethylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-methoxy-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-methylperoxysulfanyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-methylsulfanyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(4-oxo-7-pyrrolidin-1-ylquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[4-oxo-6-(trifluoromethyl)quinazolin-3-yl]phenyl]urea?
1-[4-(6-bromo-4-oxoquinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(cyclopropylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(dimethylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(ethylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-methoxy-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-methylperoxysulfanyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-methylsulfanyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(4-oxo-7-pyrrolidin-1-ylquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[4-oxo-6-(trifluoromethyl)quinazolin-3-yl]phenyl]urea has a molecular weight of 5217.71 g/mol, XLogP of 41.85, 53 rotatable bonds, 23 hydrogen bond donors, and 80 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-bromo-4-oxoquinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(cyclopropylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(dimethylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(ethylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-methoxy-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-methylperoxysulfanyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-methylsulfanyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(4-oxo-7-pyrrolidin-1-ylquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[4-oxo-6-(trifluoromethyl)quinazolin-3-yl]phenyl]urea is sourced from PubChem (CID 158477454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).