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-[4-methoxy-2-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrimidin-5-yl]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

C95H67Cl10F5N32O26S10 — CID 158398356

About 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-[4-methoxy-2-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrimidin-5-yl]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-(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-[4-methoxy-2-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrimidin-5-yl]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 158398356) has the molecular formula C95H67Cl10F5N32O26S10 and a molecular weight of 2842.97 g/mol. Its IUPAC name is 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-[4-methoxy-2-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrimidin-5-yl]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 Name: 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-[4-methoxy-2-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrimidin-5-yl]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: 158398356
• Molecular Formula: C95H67Cl10F5N32O26S10
• Molecular Weight: 2842.97 g/mol
• Exact Mass: 2835.89
• IUPAC Name: 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-[4-methoxy-2-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrimidin-5-yl]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
• SMILES: 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(-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)c(OC)n3)c(=O)[nH]c2c1.CNc1ccc2c(=O)n(-c3ncc(NC(=O)NS(=O)(=O)c4cc(Cl)c(Cl)s4)cc3F)c(=O)[nH]c2c1
• InChI: InChI=1S/C21H13Cl2F4N5O5S2.C19H13Cl2FN6O5S2.C19H15Cl2N7O6S2.2C18H13Cl2N7O5S2/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;1-23-8-2-3-10-13(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;1-22-8-3-4-9-11(5-8)25-19(31)28(16(9)29)17-23-7-12(15(26-17)34-2)24-18(30)27-36(32,33)13-6-10(20)14(21)35-13;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);2-7,23H,1H3,(H,26,31)(H2,25,27,30);3-7,22H,1-2H3,(H,25,31)(H2,24,27,30);2-7,21H,1H3,(H,24,30)(H2,22,25,26,29);2-7,21H,1H3,(H,22,30)(H2,23,24,26,29)
• InChIKey: GXUJMPSYJJFYKW-UHFFFAOYSA-N
• XLogP: 15.07
• TPSA: 810.26 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 48
• Rotatable Bonds: 26
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2842.97
LogP ≤ 5	15.07
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	48

Frequently Asked Questions

What is the IUPAC name of 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-[4-methoxy-2-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrimidin-5-yl]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-(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-[4-methoxy-2-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrimidin-5-yl]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 158398356) is 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-[4-methoxy-2-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrimidin-5-yl]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-(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-[4-methoxy-2-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrimidin-5-yl]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-(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-[4-methoxy-2-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrimidin-5-yl]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(-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)c(OC)n3)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-(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-[4-methoxy-2-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrimidin-5-yl]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 GXUJMPSYJJFYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13Cl2F4N5O5S2.C19H13Cl2FN6O5S2.C19H15Cl2N7O6S2.2C18H13Cl2N7O5S2/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;1-23-8-2-3-10-13(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;1-22-8-3-4-9-11(5-8)25-19(31)28(16(9)29)17-23-7-12(15(26-17)34-2)24-18(30)27-36(32,33)13-6-10(20)14(21)35-13;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);2-7,23H,1H3,(H,26,31)(H2,25,27,30);3-7,22H,1-2H3,(H,25,31)(H2,24,27,30);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-(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-[4-methoxy-2-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrimidin-5-yl]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-(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-[4-methoxy-2-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrimidin-5-yl]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 2842.97 g/mol, XLogP of 15.07, 26 rotatable bonds, 20 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for 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-[4-methoxy-2-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrimidin-5-yl]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 158398356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).