1-[3-chloro-5-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-(4,5-dichlorothiophen-2-yl)sulfonylurea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[3,5-difluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[5-fluoro-6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-5-(trifluoromethyl)phenyl]urea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[5-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrazin-2-yl]urea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyridazin-3-yl]urea

C116H78Cl13F8N35O30S12 — CID 159368623

IUPAC1-[3-chloro-5-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-(4,5-dichlorothiophen-2-yl)sulfonylurea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[3,5-difluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[5-fluoro-6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-5-(trifluoromethyl)phenyl]urea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[5-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrazin-2-yl]urea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyridazin-3-yl]urea
SMILESCNc1ccc2c(=O)n(-c3c(F)cc(NC(=O)NS(=O)(=O)c4cc(Cl)c(Cl)s4)cc3C(F)(F)F)c(=O)[nH]c2c1.CNc1ccc2c(=O)n(-c3c(F)cc(NC(=O)NS(=O)(=O)c4cc(Cl)c(Cl)s4)cc3Cl)c(=O)[nH]c2c1.CNc1ccc2c(=O)n(-c3c(F)cc(NC(=O)NS(=O)(=O)c4cc(Cl)c(Cl)s4)cc3F)c(=O)[nH]c2c1.CNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4cc(Cl)c(Cl)s4)nn3)c(=O)[nH]c2c1.CNc1ccc2c(=O)n(-c3cnc(NC(=O)NS(=O)(=O)c4cc(Cl)c(Cl)s4)cn3)c(=O)[nH]c2c1.CNc1ccc2c(=O)n(-c3ncc(NC(=O)NS(=O)(=O)c4cc(Cl)c(Cl)s4)cc3F)c(=O)[nH]c2c1
InChIInChI=1S/C21H13Cl2F4N5O5S2.C20H13Cl3FN5O5S2.C20H13Cl2F2N5O5S2.C19H13Cl2FN6O5S2.2C18H13Cl2N7O5S2/c1-28-8-2-3-10-14(6-8)30-20(35)32(18(10)33)16-11(21(25,26)27)4-9(5-13(16)24)29-19(34)31-39(36,37)15-7-12(22)17(23)38-15;1-25-8-2-3-10-14(6-8)27-20(32)29(18(10)30)16-11(21)4-9(5-13(16)24)26-19(31)28-36(33,34)15-7-12(22)17(23)35-15;1-25-8-2-3-10-14(6-8)27-20(32)29(18(10)30)16-12(23)4-9(5-13(16)24)26-19(31)28-36(33,34)15-7-11(21)17(22)35-15;1-23-8-2-3-10-13(5-8)26-19(31)28(17(10)29)16-12(22)4-9(7-24-16)25-18(30)27-35(32,33)14-6-11(20)15(21)34-14;1-21-8-2-3-9-11(4-8)24-18(30)27(16(9)28)13-7-22-12(6-23-13)25-17(29)26-34(31,32)14-5-10(19)15(20)33-14;1-21-8-2-3-9-11(6-8)22-18(30)27(16(9)28)13-5-4-12(24-25-13)23-17(29)26-34(31,32)14-7-10(19)15(20)33-14/h2-7,28H,1H3,(H,30,35)(H2,29,31,34);2*2-7,25H,1H3,(H,27,32)(H2,26,28,31);2-7,23H,1H3,(H,26,31)(H2,25,27,30);2-7,21H,1H3,(H,24,30)(H2,22,25,26,29);2-7,21H,1H3,(H,22,30)(H2,23,24,26,29)
InChIKeyLJLJAKSPUOJBEV-UHFFFAOYSA-N
MW3439.79 g/mol
LogP20.94
Rot. Bonds30

About 1-[3-chloro-5-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-(4,5-dichlorothiophen-2-yl)sulfonylurea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[3,5-difluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[5-fluoro-6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-5-(trifluoromethyl)phenyl]urea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[5-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrazin-2-yl]urea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyridazin-3-yl]urea

1-[3-chloro-5-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-(4,5-dichlorothiophen-2-yl)sulfonylurea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[3,5-difluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[5-fluoro-6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-5-(trifluoromethyl)phenyl]urea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[5-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrazin-2-yl]urea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyridazin-3-yl]urea (PubChem CID 159368623) has the molecular formula C116H78Cl13F8N35O30S12 and a molecular weight of 3439.79 g/mol. Its IUPAC name is 1-[3-chloro-5-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-(4,5-dichlorothiophen-2-yl)sulfonylurea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[3,5-difluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[5-fluoro-6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-5-(trifluoromethyl)phenyl]urea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[5-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrazin-2-yl]urea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyridazin-3-yl]urea.

Molecular Properties

Compound Name1-[3-chloro-5-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-(4,5-dichlorothiophen-2-yl)sulfonylurea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[3,5-difluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[5-fluoro-6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-5-(trifluoromethyl)phenyl]urea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[5-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrazin-2-yl]urea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyridazin-3-yl]urea
PubChem CID159368623
Molecular FormulaC116H78Cl13F8N35O30S12
Molecular Weight3439.79 g/mol
Exact Mass3430.81
IUPAC Name1-[3-chloro-5-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-(4,5-dichlorothiophen-2-yl)sulfonylurea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[3,5-difluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[5-fluoro-6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-5-(trifluoromethyl)phenyl]urea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[5-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrazin-2-yl]urea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyridazin-3-yl]urea
SMILESCNc1ccc2c(=O)n(-c3c(F)cc(NC(=O)NS(=O)(=O)c4cc(Cl)c(Cl)s4)cc3C(F)(F)F)c(=O)[nH]c2c1.CNc1ccc2c(=O)n(-c3c(F)cc(NC(=O)NS(=O)(=O)c4cc(Cl)c(Cl)s4)cc3Cl)c(=O)[nH]c2c1.CNc1ccc2c(=O)n(-c3c(F)cc(NC(=O)NS(=O)(=O)c4cc(Cl)c(Cl)s4)cc3F)c(=O)[nH]c2c1.CNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4cc(Cl)c(Cl)s4)nn3)c(=O)[nH]c2c1.CNc1ccc2c(=O)n(-c3cnc(NC(=O)NS(=O)(=O)c4cc(Cl)c(Cl)s4)cn3)c(=O)[nH]c2c1.CNc1ccc2c(=O)n(-c3ncc(NC(=O)NS(=O)(=O)c4cc(Cl)c(Cl)s4)cc3F)c(=O)[nH]c2c1
InChIInChI=1S/C21H13Cl2F4N5O5S2.C20H13Cl3FN5O5S2.C20H13Cl2F2N5O5S2.C19H13Cl2FN6O5S2.2C18H13Cl2N7O5S2/c1-28-8-2-3-10-14(6-8)30-20(35)32(18(10)33)16-11(21(25,26)27)4-9(5-13(16)24)29-19(34)31-39(36,37)15-7-12(22)17(23)38-15;1-25-8-2-3-10-14(6-8)27-20(32)29(18(10)30)16-11(21)4-9(5-13(16)24)26-19(31)28-36(33,34)15-7-12(22)17(23)35-15;1-25-8-2-3-10-14(6-8)27-20(32)29(18(10)30)16-12(23)4-9(5-13(16)24)26-19(31)28-36(33,34)15-7-11(21)17(22)35-15;1-23-8-2-3-10-13(5-8)26-19(31)28(17(10)29)16-12(22)4-9(7-24-16)25-18(30)27-35(32,33)14-6-11(20)15(21)34-14;1-21-8-2-3-9-11(4-8)24-18(30)27(16(9)28)13-7-22-12(6-23-13)25-17(29)26-34(31,32)14-5-10(19)15(20)33-14;1-21-8-2-3-9-11(6-8)22-18(30)27(16(9)28)13-5-4-12(24-25-13)23-17(29)26-34(31,32)14-7-10(19)15(20)33-14/h2-7,28H,1H3,(H,30,35)(H2,29,31,34);2*2-7,25H,1H3,(H,27,32)(H2,26,28,31);2-7,23H,1H3,(H,26,31)(H2,25,27,30);2-7,21H,1H3,(H,24,30)(H2,22,25,26,29);2-7,21H,1H3,(H,22,30)(H2,23,24,26,29)
InChIKeyLJLJAKSPUOJBEV-UHFFFAOYSA-N
XLogP20.94
TPSA917.41 Ų
H-Bond Donors24
H-Bond Acceptors53
Rotatable Bonds30
Heavy Atoms214
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003439.79
LogP ≤ 520.94
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1053

Analyze 1-[3-chloro-5-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-(4,5-dichlorothiophen-2-yl)sulfonylurea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[3,5-difluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[5-fluoro-6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-5-(trifluoromethyl)phenyl]urea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[5-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrazin-2-yl]urea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyridazin-3-yl]urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-(4,5-dichlorothiophen-2-yl)sulfonylurea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[3,5-difluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[5-fluoro-6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-5-(trifluoromethyl)phenyl]urea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[5-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrazin-2-yl]urea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyridazin-3-yl]urea?
The IUPAC name of 1-[3-chloro-5-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-(4,5-dichlorothiophen-2-yl)sulfonylurea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[3,5-difluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[5-fluoro-6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-5-(trifluoromethyl)phenyl]urea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[5-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrazin-2-yl]urea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyridazin-3-yl]urea (CID 159368623) is 1-[3-chloro-5-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-(4,5-dichlorothiophen-2-yl)sulfonylurea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[3,5-difluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[5-fluoro-6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-5-(trifluoromethyl)phenyl]urea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[5-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrazin-2-yl]urea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyridazin-3-yl]urea.
What is the SMILES notation for 1-[3-chloro-5-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-(4,5-dichlorothiophen-2-yl)sulfonylurea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[3,5-difluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[5-fluoro-6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-5-(trifluoromethyl)phenyl]urea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[5-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrazin-2-yl]urea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyridazin-3-yl]urea?
The canonical SMILES for 1-[3-chloro-5-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-(4,5-dichlorothiophen-2-yl)sulfonylurea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[3,5-difluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[5-fluoro-6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-5-(trifluoromethyl)phenyl]urea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[5-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrazin-2-yl]urea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyridazin-3-yl]urea is CNc1ccc2c(=O)n(-c3c(F)cc(NC(=O)NS(=O)(=O)c4cc(Cl)c(Cl)s4)cc3C(F)(F)F)c(=O)[nH]c2c1.CNc1ccc2c(=O)n(-c3c(F)cc(NC(=O)NS(=O)(=O)c4cc(Cl)c(Cl)s4)cc3Cl)c(=O)[nH]c2c1.CNc1ccc2c(=O)n(-c3c(F)cc(NC(=O)NS(=O)(=O)c4cc(Cl)c(Cl)s4)cc3F)c(=O)[nH]c2c1.CNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4cc(Cl)c(Cl)s4)nn3)c(=O)[nH]c2c1.CNc1ccc2c(=O)n(-c3cnc(NC(=O)NS(=O)(=O)c4cc(Cl)c(Cl)s4)cn3)c(=O)[nH]c2c1.CNc1ccc2c(=O)n(-c3ncc(NC(=O)NS(=O)(=O)c4cc(Cl)c(Cl)s4)cc3F)c(=O)[nH]c2c1.
What is the InChIKey of 1-[3-chloro-5-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-(4,5-dichlorothiophen-2-yl)sulfonylurea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[3,5-difluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[5-fluoro-6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-5-(trifluoromethyl)phenyl]urea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[5-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrazin-2-yl]urea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyridazin-3-yl]urea?
The InChIKey is LJLJAKSPUOJBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13Cl2F4N5O5S2.C20H13Cl3FN5O5S2.C20H13Cl2F2N5O5S2.C19H13Cl2FN6O5S2.2C18H13Cl2N7O5S2/c1-28-8-2-3-10-14(6-8)30-20(35)32(18(10)33)16-11(21(25,26)27)4-9(5-13(16)24)29-19(34)31-39(36,37)15-7-12(22)17(23)38-15;1-25-8-2-3-10-14(6-8)27-20(32)29(18(10)30)16-11(21)4-9(5-13(16)24)26-19(31)28-36(33,34)15-7-12(22)17(23)35-15;1-25-8-2-3-10-14(6-8)27-20(32)29(18(10)30)16-12(23)4-9(5-13(16)24)26-19(31)28-36(33,34)15-7-11(21)17(22)35-15;1-23-8-2-3-10-13(5-8)26-19(31)28(17(10)29)16-12(22)4-9(7-24-16)25-18(30)27-35(32,33)14-6-11(20)15(21)34-14;1-21-8-2-3-9-11(4-8)24-18(30)27(16(9)28)13-7-22-12(6-23-13)25-17(29)26-34(31,32)14-5-10(19)15(20)33-14;1-21-8-2-3-9-11(6-8)22-18(30)27(16(9)28)13-5-4-12(24-25-13)23-17(29)26-34(31,32)14-7-10(19)15(20)33-14/h2-7,28H,1H3,(H,30,35)(H2,29,31,34);2*2-7,25H,1H3,(H,27,32)(H2,26,28,31);2-7,23H,1H3,(H,26,31)(H2,25,27,30);2-7,21H,1H3,(H,24,30)(H2,22,25,26,29);2-7,21H,1H3,(H,22,30)(H2,23,24,26,29).
What are the key properties of 1-[3-chloro-5-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-(4,5-dichlorothiophen-2-yl)sulfonylurea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[3,5-difluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[5-fluoro-6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-5-(trifluoromethyl)phenyl]urea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[5-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrazin-2-yl]urea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyridazin-3-yl]urea?
1-[3-chloro-5-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-(4,5-dichlorothiophen-2-yl)sulfonylurea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[3,5-difluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[5-fluoro-6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-5-(trifluoromethyl)phenyl]urea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[5-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrazin-2-yl]urea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyridazin-3-yl]urea has a molecular weight of 3439.79 g/mol, XLogP of 20.94, 30 rotatable bonds, 24 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-(4,5-dichlorothiophen-2-yl)sulfonylurea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[3,5-difluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[5-fluoro-6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-5-(trifluoromethyl)phenyl]urea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[5-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrazin-2-yl]urea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyridazin-3-yl]urea is sourced from PubChem (CID 159368623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).