1-[4-(6-aminoperoxysulfanyl-2-methyl-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-chloro-2-methyl-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(7-chloro-2-methyl-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[5-fluoro-6-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methoxy-2-methyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(7-methoxy-2-methyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-7-(methylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(2-methyl-4-oxo-7-pyrrolidin-1-ylquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-4-oxo-6-(trifluoromethyl)quinazolin-3-yl]phenyl]urea

C207H149BrCl12F14N44O44S21 — CID 158501395

IUPAC1-[4-(6-aminoperoxysulfanyl-2-methyl-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-chloro-2-methyl-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(7-chloro-2-methyl-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[5-fluoro-6-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methoxy-2-methyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(7-methoxy-2-methyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-7-(methylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(2-methyl-4-oxo-7-pyrrolidin-1-ylquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-4-oxo-6-(trifluoromethyl)quinazolin-3-yl]phenyl]urea
SMILESCNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3F)c(C)nc2c1.COc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3F)c(C)nc2c1.COc1ccc2nc(C)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3F)c(=O)c2c1.Cc1nc2cc(Cl)ccc2c(=O)n1-c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)s2)cc1F.Cc1nc2cc(N3CCCC3)ccc2c(=O)n1-c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)s2)cc1F.Cc1nc2ccc(Br)cc2c(=O)n1-c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)s2)cc1F.Cc1nc2ccc(C(F)(F)F)cc2c(=O)n1-c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)s2)cc1F.Cc1nc2ccc(Cl)cc2c(=O)n1-c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)s2)cc1F.Cc1nc2ccc(F)cc2c(=O)n1-c1ncc(NC(=O)NS(=O)(=O)c2ccc(Cl)s2)cc1F.Cc1nc2ccc(SOON)cc2c(=O)n1-c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)s2)cc1F
InChIInChI=1S/C24H21ClFN5O4S2.C21H13ClF4N4O4S2.C21H17ClFN5O4S2.2C21H16ClFN4O5S2.C20H13BrClFN4O4S2.2C20H13Cl2FN4O4S2.C20H15ClFN5O6S3.C19H12ClF2N5O4S2/c1-14-27-19-13-16(30-10-2-3-11-30)5-6-17(19)23(32)31(14)20-7-4-15(12-18(20)26)28-24(33)29-37(34,35)22-9-8-21(25)36-22;1-10-27-15-4-2-11(21(24,25)26)8-13(15)19(31)30(10)16-5-3-12(9-14(16)23)28-20(32)29-36(33,34)18-7-6-17(22)35-18;1-11-25-16-10-12(24-2)3-5-14(16)20(29)28(11)17-6-4-13(9-15(17)23)26-21(30)27-34(31,32)19-8-7-18(22)33-19;1-11-24-16-5-4-13(32-2)10-14(16)20(28)27(11)17-6-3-12(9-15(17)23)25-21(29)26-34(30,31)19-8-7-18(22)33-19;1-11-24-16-10-13(32-2)4-5-14(16)20(28)27(11)17-6-3-12(9-15(17)23)25-21(29)26-34(30,31)19-8-7-18(22)33-19;2*1-10-24-15-4-2-11(21)8-13(15)19(28)27(10)16-5-3-12(9-14(16)23)25-20(29)26-33(30,31)18-7-6-17(22)32-18;1-10-24-15-8-11(21)2-4-13(15)19(28)27(10)16-5-3-12(9-14(16)23)25-20(29)26-33(30,31)18-7-6-17(22)32-18;1-10-24-15-4-3-12(35-33-32-23)9-13(15)19(28)27(10)16-5-2-11(8-14(16)22)25-20(29)26-36(30,31)18-7-6-17(21)34-18;1-9-24-14-3-2-10(21)6-12(14)18(28)27(9)17-13(22)7-11(8-23-17)25-19(29)26-33(30,31)16-5-4-15(20)32-16/h4-9,12-13H,2-3,10-11H2,1H3,(H2,28,29,33);2-9H,1H3,(H2,28,29,32);3-10,24H,1-2H3,(H2,26,27,30);2*3-10H,1-2H3,(H2,25,26,29);3*2-9H,1H3,(H2,25,26,29);2-9H,23H2,1H3,(H2,25,26,29);2-8H,1H3,(H2,25,26,29)
InChIKeyHJYAQEOIQXFUDQ-UHFFFAOYSA-N
MW5401.45 g/mol
LogP43.70
Rot. Bonds47

About 1-[4-(6-aminoperoxysulfanyl-2-methyl-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-chloro-2-methyl-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(7-chloro-2-methyl-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[5-fluoro-6-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methoxy-2-methyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(7-methoxy-2-methyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-7-(methylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(2-methyl-4-oxo-7-pyrrolidin-1-ylquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-4-oxo-6-(trifluoromethyl)quinazolin-3-yl]phenyl]urea

1-[4-(6-aminoperoxysulfanyl-2-methyl-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-chloro-2-methyl-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(7-chloro-2-methyl-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[5-fluoro-6-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methoxy-2-methyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(7-methoxy-2-methyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-7-(methylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(2-methyl-4-oxo-7-pyrrolidin-1-ylquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-4-oxo-6-(trifluoromethyl)quinazolin-3-yl]phenyl]urea (PubChem CID 158501395) has the molecular formula C207H149BrCl12F14N44O44S21 and a molecular weight of 5401.45 g/mol. Its IUPAC name is 1-[4-(6-aminoperoxysulfanyl-2-methyl-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-chloro-2-methyl-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(7-chloro-2-methyl-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[5-fluoro-6-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methoxy-2-methyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(7-methoxy-2-methyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-7-(methylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(2-methyl-4-oxo-7-pyrrolidin-1-ylquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-4-oxo-6-(trifluoromethyl)quinazolin-3-yl]phenyl]urea.

Molecular Properties

Compound Name1-[4-(6-aminoperoxysulfanyl-2-methyl-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-chloro-2-methyl-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(7-chloro-2-methyl-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[5-fluoro-6-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methoxy-2-methyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(7-methoxy-2-methyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-7-(methylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(2-methyl-4-oxo-7-pyrrolidin-1-ylquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-4-oxo-6-(trifluoromethyl)quinazolin-3-yl]phenyl]urea
PubChem CID158501395
Molecular FormulaC207H149BrCl12F14N44O44S21
Molecular Weight5401.45 g/mol
Exact Mass5390.01
IUPAC Name1-[4-(6-aminoperoxysulfanyl-2-methyl-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-chloro-2-methyl-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(7-chloro-2-methyl-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[5-fluoro-6-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methoxy-2-methyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(7-methoxy-2-methyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-7-(methylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(2-methyl-4-oxo-7-pyrrolidin-1-ylquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-4-oxo-6-(trifluoromethyl)quinazolin-3-yl]phenyl]urea
SMILESCNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3F)c(C)nc2c1.COc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3F)c(C)nc2c1.COc1ccc2nc(C)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3F)c(=O)c2c1.Cc1nc2cc(Cl)ccc2c(=O)n1-c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)s2)cc1F.Cc1nc2cc(N3CCCC3)ccc2c(=O)n1-c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)s2)cc1F.Cc1nc2ccc(Br)cc2c(=O)n1-c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)s2)cc1F.Cc1nc2ccc(C(F)(F)F)cc2c(=O)n1-c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)s2)cc1F.Cc1nc2ccc(Cl)cc2c(=O)n1-c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)s2)cc1F.Cc1nc2ccc(F)cc2c(=O)n1-c1ncc(NC(=O)NS(=O)(=O)c2ccc(Cl)s2)cc1F.Cc1nc2ccc(SOON)cc2c(=O)n1-c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)s2)cc1F
InChIInChI=1S/C24H21ClFN5O4S2.C21H13ClF4N4O4S2.C21H17ClFN5O4S2.2C21H16ClFN4O5S2.C20H13BrClFN4O4S2.2C20H13Cl2FN4O4S2.C20H15ClFN5O6S3.C19H12ClF2N5O4S2/c1-14-27-19-13-16(30-10-2-3-11-30)5-6-17(19)23(32)31(14)20-7-4-15(12-18(20)26)28-24(33)29-37(34,35)22-9-8-21(25)36-22;1-10-27-15-4-2-11(21(24,25)26)8-13(15)19(31)30(10)16-5-3-12(9-14(16)23)28-20(32)29-36(33,34)18-7-6-17(22)35-18;1-11-25-16-10-12(24-2)3-5-14(16)20(29)28(11)17-6-4-13(9-15(17)23)26-21(30)27-34(31,32)19-8-7-18(22)33-19;1-11-24-16-5-4-13(32-2)10-14(16)20(28)27(11)17-6-3-12(9-15(17)23)25-21(29)26-34(30,31)19-8-7-18(22)33-19;1-11-24-16-10-13(32-2)4-5-14(16)20(28)27(11)17-6-3-12(9-15(17)23)25-21(29)26-34(30,31)19-8-7-18(22)33-19;2*1-10-24-15-4-2-11(21)8-13(15)19(28)27(10)16-5-3-12(9-14(16)23)25-20(29)26-33(30,31)18-7-6-17(22)32-18;1-10-24-15-8-11(21)2-4-13(15)19(28)27(10)16-5-3-12(9-14(16)23)25-20(29)26-33(30,31)18-7-6-17(22)32-18;1-10-24-15-4-3-12(35-33-32-23)9-13(15)19(28)27(10)16-5-2-11(8-14(16)22)25-20(29)26-36(30,31)18-7-6-17(21)34-18;1-9-24-14-3-2-10(21)6-12(14)18(28)27(9)17-13(22)7-11(8-23-17)25-19(29)26-33(30,31)16-5-4-15(20)32-16/h4-9,12-13H,2-3,10-11H2,1H3,(H2,28,29,33);2-9H,1H3,(H2,28,29,32);3-10,24H,1-2H3,(H2,26,27,30);2*3-10H,1-2H3,(H2,25,26,29);3*2-9H,1H3,(H2,25,26,29);2-9H,23H2,1H3,(H2,25,26,29);2-8H,1H3,(H2,25,26,29)
InChIKeyHJYAQEOIQXFUDQ-UHFFFAOYSA-N
XLogP43.70
TPSA1192.70 Ų
H-Bond Donors22
H-Bond Acceptors79
Rotatable Bonds47
Heavy Atoms343
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005401.45
LogP ≤ 543.70
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1079

Analyze 1-[4-(6-aminoperoxysulfanyl-2-methyl-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-chloro-2-methyl-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(7-chloro-2-methyl-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[5-fluoro-6-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methoxy-2-methyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(7-methoxy-2-methyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-7-(methylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(2-methyl-4-oxo-7-pyrrolidin-1-ylquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-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-aminoperoxysulfanyl-2-methyl-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-chloro-2-methyl-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(7-chloro-2-methyl-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[5-fluoro-6-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methoxy-2-methyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(7-methoxy-2-methyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-7-(methylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(2-methyl-4-oxo-7-pyrrolidin-1-ylquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-4-oxo-6-(trifluoromethyl)quinazolin-3-yl]phenyl]urea?
The IUPAC name of 1-[4-(6-aminoperoxysulfanyl-2-methyl-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-chloro-2-methyl-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(7-chloro-2-methyl-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[5-fluoro-6-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methoxy-2-methyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(7-methoxy-2-methyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-7-(methylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(2-methyl-4-oxo-7-pyrrolidin-1-ylquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-4-oxo-6-(trifluoromethyl)quinazolin-3-yl]phenyl]urea (CID 158501395) is 1-[4-(6-aminoperoxysulfanyl-2-methyl-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-chloro-2-methyl-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(7-chloro-2-methyl-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[5-fluoro-6-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methoxy-2-methyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(7-methoxy-2-methyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-7-(methylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(2-methyl-4-oxo-7-pyrrolidin-1-ylquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-4-oxo-6-(trifluoromethyl)quinazolin-3-yl]phenyl]urea.
What is the SMILES notation for 1-[4-(6-aminoperoxysulfanyl-2-methyl-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-chloro-2-methyl-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(7-chloro-2-methyl-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[5-fluoro-6-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methoxy-2-methyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(7-methoxy-2-methyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-7-(methylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(2-methyl-4-oxo-7-pyrrolidin-1-ylquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-4-oxo-6-(trifluoromethyl)quinazolin-3-yl]phenyl]urea?
The canonical SMILES for 1-[4-(6-aminoperoxysulfanyl-2-methyl-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-chloro-2-methyl-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(7-chloro-2-methyl-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[5-fluoro-6-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methoxy-2-methyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(7-methoxy-2-methyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-7-(methylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(2-methyl-4-oxo-7-pyrrolidin-1-ylquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-4-oxo-6-(trifluoromethyl)quinazolin-3-yl]phenyl]urea is CNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3F)c(C)nc2c1.COc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3F)c(C)nc2c1.COc1ccc2nc(C)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3F)c(=O)c2c1.Cc1nc2cc(Cl)ccc2c(=O)n1-c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)s2)cc1F.Cc1nc2cc(N3CCCC3)ccc2c(=O)n1-c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)s2)cc1F.Cc1nc2ccc(Br)cc2c(=O)n1-c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)s2)cc1F.Cc1nc2ccc(C(F)(F)F)cc2c(=O)n1-c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)s2)cc1F.Cc1nc2ccc(Cl)cc2c(=O)n1-c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)s2)cc1F.Cc1nc2ccc(F)cc2c(=O)n1-c1ncc(NC(=O)NS(=O)(=O)c2ccc(Cl)s2)cc1F.Cc1nc2ccc(SOON)cc2c(=O)n1-c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)s2)cc1F.
What is the InChIKey of 1-[4-(6-aminoperoxysulfanyl-2-methyl-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-chloro-2-methyl-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(7-chloro-2-methyl-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[5-fluoro-6-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methoxy-2-methyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(7-methoxy-2-methyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-7-(methylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(2-methyl-4-oxo-7-pyrrolidin-1-ylquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-4-oxo-6-(trifluoromethyl)quinazolin-3-yl]phenyl]urea?
The InChIKey is HJYAQEOIQXFUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClFN5O4S2.C21H13ClF4N4O4S2.C21H17ClFN5O4S2.2C21H16ClFN4O5S2.C20H13BrClFN4O4S2.2C20H13Cl2FN4O4S2.C20H15ClFN5O6S3.C19H12ClF2N5O4S2/c1-14-27-19-13-16(30-10-2-3-11-30)5-6-17(19)23(32)31(14)20-7-4-15(12-18(20)26)28-24(33)29-37(34,35)22-9-8-21(25)36-22;1-10-27-15-4-2-11(21(24,25)26)8-13(15)19(31)30(10)16-5-3-12(9-14(16)23)28-20(32)29-36(33,34)18-7-6-17(22)35-18;1-11-25-16-10-12(24-2)3-5-14(16)20(29)28(11)17-6-4-13(9-15(17)23)26-21(30)27-34(31,32)19-8-7-18(22)33-19;1-11-24-16-5-4-13(32-2)10-14(16)20(28)27(11)17-6-3-12(9-15(17)23)25-21(29)26-34(30,31)19-8-7-18(22)33-19;1-11-24-16-10-13(32-2)4-5-14(16)20(28)27(11)17-6-3-12(9-15(17)23)25-21(29)26-34(30,31)19-8-7-18(22)33-19;2*1-10-24-15-4-2-11(21)8-13(15)19(28)27(10)16-5-3-12(9-14(16)23)25-20(29)26-33(30,31)18-7-6-17(22)32-18;1-10-24-15-8-11(21)2-4-13(15)19(28)27(10)16-5-3-12(9-14(16)23)25-20(29)26-33(30,31)18-7-6-17(22)32-18;1-10-24-15-4-3-12(35-33-32-23)9-13(15)19(28)27(10)16-5-2-11(8-14(16)22)25-20(29)26-36(30,31)18-7-6-17(21)34-18;1-9-24-14-3-2-10(21)6-12(14)18(28)27(9)17-13(22)7-11(8-23-17)25-19(29)26-33(30,31)16-5-4-15(20)32-16/h4-9,12-13H,2-3,10-11H2,1H3,(H2,28,29,33);2-9H,1H3,(H2,28,29,32);3-10,24H,1-2H3,(H2,26,27,30);2*3-10H,1-2H3,(H2,25,26,29);3*2-9H,1H3,(H2,25,26,29);2-9H,23H2,1H3,(H2,25,26,29);2-8H,1H3,(H2,25,26,29).
What are the key properties of 1-[4-(6-aminoperoxysulfanyl-2-methyl-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-chloro-2-methyl-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(7-chloro-2-methyl-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[5-fluoro-6-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methoxy-2-methyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(7-methoxy-2-methyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-7-(methylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(2-methyl-4-oxo-7-pyrrolidin-1-ylquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-4-oxo-6-(trifluoromethyl)quinazolin-3-yl]phenyl]urea?
1-[4-(6-aminoperoxysulfanyl-2-methyl-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-chloro-2-methyl-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(7-chloro-2-methyl-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[5-fluoro-6-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methoxy-2-methyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(7-methoxy-2-methyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-7-(methylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(2-methyl-4-oxo-7-pyrrolidin-1-ylquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-4-oxo-6-(trifluoromethyl)quinazolin-3-yl]phenyl]urea has a molecular weight of 5401.45 g/mol, XLogP of 43.70, 47 rotatable bonds, 22 hydrogen bond donors, and 79 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-aminoperoxysulfanyl-2-methyl-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-chloro-2-methyl-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(7-chloro-2-methyl-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[5-fluoro-6-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methoxy-2-methyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(7-methoxy-2-methyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-7-(methylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(2-methyl-4-oxo-7-pyrrolidin-1-ylquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-4-oxo-6-(trifluoromethyl)quinazolin-3-yl]phenyl]urea is sourced from PubChem (CID 158501395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).