1-[(5-chlorothiophen-2-yl)methyl]-3-[4-methoxy-2-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrimidin-5-yl]urea;1-[(5-chlorothiophen-2-yl)methyl]-3-[6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyridazin-3-yl]urea;N-(5-chlorothiophen-2-yl)sulfonyl-3,5-difluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-3-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-(trifluoromethyl)benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-3-methyl-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]benzamide

C121H92Cl6F6N30O27S10 — CID 158129541

About 1-[(5-chlorothiophen-2-yl)methyl]-3-[4-methoxy-2-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrimidin-5-yl]urea;1-[(5-chlorothiophen-2-yl)methyl]-3-[6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyridazin-3-yl]urea;N-(5-chlorothiophen-2-yl)sulfonyl-3,5-difluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-3-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-(trifluoromethyl)benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-3-methyl-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]benzamide

1-[(5-chlorothiophen-2-yl)methyl]-3-[4-methoxy-2-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrimidin-5-yl]urea;1-[(5-chlorothiophen-2-yl)methyl]-3-[6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyridazin-3-yl]urea;N-(5-chlorothiophen-2-yl)sulfonyl-3,5-difluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-3-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-(trifluoromethyl)benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-3-methyl-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]benzamide (PubChem CID 158129541) has the molecular formula C121H92Cl6F6N30O27S10 and a molecular weight of 3045.63 g/mol. Its IUPAC name is 1-[(5-chlorothiophen-2-yl)methyl]-3-[4-methoxy-2-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrimidin-5-yl]urea;1-[(5-chlorothiophen-2-yl)methyl]-3-[6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyridazin-3-yl]urea;N-(5-chlorothiophen-2-yl)sulfonyl-3,5-difluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-3-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-(trifluoromethyl)benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-3-methyl-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]benzamide.

Molecular Properties

• Compound Name: 1-[(5-chlorothiophen-2-yl)methyl]-3-[4-methoxy-2-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrimidin-5-yl]urea;1-[(5-chlorothiophen-2-yl)methyl]-3-[6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyridazin-3-yl]urea;N-(5-chlorothiophen-2-yl)sulfonyl-3,5-difluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-3-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-(trifluoromethyl)benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-3-methyl-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]benzamide
• PubChem CID: 158129541
• Molecular Formula: C121H92Cl6F6N30O27S10
• Molecular Weight: 3045.63 g/mol
• Exact Mass: 3040.20
• IUPAC Name: 1-[(5-chlorothiophen-2-yl)methyl]-3-[4-methoxy-2-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrimidin-5-yl]urea;1-[(5-chlorothiophen-2-yl)methyl]-3-[6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyridazin-3-yl]urea;N-(5-chlorothiophen-2-yl)sulfonyl-3,5-difluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-3-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-(trifluoromethyl)benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-3-methyl-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]benzamide
• SMILES: CNc1ccc2c(=O)n(-c3c(F)cc(C(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3F)c(=O)[nH]c2c1.CNc1ccc2c(=O)n(-c3ccc(C(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3C(F)(F)F)c(=O)[nH]c2c1.CNc1ccc2c(=O)n(-c3ccc(C(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3C)c(=O)[nH]c2c1.CNc1ccc2c(=O)n(-c3ccc(C(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3F)c(=O)[nH]c2c1.CNc1ccc2c(=O)n(-c3ccc(NC(=O)NCc4ccc(Cl)s4)nn3)c(=O)[nH]c2c1.CNc1ccc2c(=O)n(-c3ncc(NC(=O)NCc4ccc(Cl)s4)c(OC)n3)c(=O)[nH]c2c1
• InChI: InChI=1S/C21H14ClF3N4O5S2.C21H17ClN4O5S2.C20H13ClF2N4O5S2.C20H14ClFN4O5S2.C20H18ClN7O4S.C19H16ClN7O3S/c1-26-11-3-4-12-14(9-11)27-20(32)29(19(12)31)15-5-2-10(8-13(15)21(23,24)25)18(30)28-36(33,34)17-7-6-16(22)35-17;1-11-9-12(19(27)25-33(30,31)18-8-7-17(22)32-18)3-6-16(11)26-20(28)14-5-4-13(23-2)10-15(14)24-21(26)29;1-24-10-2-3-11-14(8-10)25-20(30)27(19(11)29)17-12(22)6-9(7-13(17)23)18(28)26-34(31,32)16-5-4-15(21)33-16;1-23-11-3-4-12-14(9-11)24-20(29)26(19(12)28)15-5-2-10(8-13(15)22)18(27)25-33(30,31)17-7-6-16(21)32-17;1-22-10-3-5-12-13(7-10)26-20(31)28(17(12)29)18-23-9-14(16(27-18)32-2)25-19(30)24-8-11-4-6-15(21)33-11;1-21-10-2-4-12-13(8-10)23-19(30)27(17(12)28)16-7-6-15(25-26-16)24-18(29)22-9-11-3-5-14(20)31-11/h2-9,26H,1H3,(H,27,32)(H,28,30);3-10,23H,1-2H3,(H,24,29)(H,25,27);2-8,24H,1H3,(H,25,30)(H,26,28);2-9,23H,1H3,(H,24,29)(H,25,27);3-7,9,22H,8H2,1-2H3,(H,26,31)(H2,24,25,30);2-8,21H,9H2,1H3,(H,23,30)(H2,22,24,25,29)
• InChIKey: FSPHHKAALFPVEX-UHFFFAOYSA-N
• XLogP: 17.06
• TPSA: 797.35 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 49
• Rotatable Bonds: 31
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3045.63
LogP ≤ 5	17.06
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	49

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-3-[4-methoxy-2-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrimidin-5-yl]urea;1-[(5-chlorothiophen-2-yl)methyl]-3-[6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyridazin-3-yl]urea;N-(5-chlorothiophen-2-yl)sulfonyl-3,5-difluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-3-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-(trifluoromethyl)benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-3-methyl-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]benzamide?

The IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-3-[4-methoxy-2-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrimidin-5-yl]urea;1-[(5-chlorothiophen-2-yl)methyl]-3-[6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyridazin-3-yl]urea;N-(5-chlorothiophen-2-yl)sulfonyl-3,5-difluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-3-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-(trifluoromethyl)benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-3-methyl-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]benzamide (CID 158129541) is 1-[(5-chlorothiophen-2-yl)methyl]-3-[4-methoxy-2-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrimidin-5-yl]urea;1-[(5-chlorothiophen-2-yl)methyl]-3-[6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyridazin-3-yl]urea;N-(5-chlorothiophen-2-yl)sulfonyl-3,5-difluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-3-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-(trifluoromethyl)benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-3-methyl-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]benzamide.

What is the SMILES notation for 1-[(5-chlorothiophen-2-yl)methyl]-3-[4-methoxy-2-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrimidin-5-yl]urea;1-[(5-chlorothiophen-2-yl)methyl]-3-[6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyridazin-3-yl]urea;N-(5-chlorothiophen-2-yl)sulfonyl-3,5-difluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-3-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-(trifluoromethyl)benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-3-methyl-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]benzamide?

The canonical SMILES for 1-[(5-chlorothiophen-2-yl)methyl]-3-[4-methoxy-2-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrimidin-5-yl]urea;1-[(5-chlorothiophen-2-yl)methyl]-3-[6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyridazin-3-yl]urea;N-(5-chlorothiophen-2-yl)sulfonyl-3,5-difluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-3-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-(trifluoromethyl)benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-3-methyl-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]benzamide is CNc1ccc2c(=O)n(-c3c(F)cc(C(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3F)c(=O)[nH]c2c1.CNc1ccc2c(=O)n(-c3ccc(C(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3C(F)(F)F)c(=O)[nH]c2c1.CNc1ccc2c(=O)n(-c3ccc(C(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3C)c(=O)[nH]c2c1.CNc1ccc2c(=O)n(-c3ccc(C(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3F)c(=O)[nH]c2c1.CNc1ccc2c(=O)n(-c3ccc(NC(=O)NCc4ccc(Cl)s4)nn3)c(=O)[nH]c2c1.CNc1ccc2c(=O)n(-c3ncc(NC(=O)NCc4ccc(Cl)s4)c(OC)n3)c(=O)[nH]c2c1.

What is the InChIKey of 1-[(5-chlorothiophen-2-yl)methyl]-3-[4-methoxy-2-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrimidin-5-yl]urea;1-[(5-chlorothiophen-2-yl)methyl]-3-[6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyridazin-3-yl]urea;N-(5-chlorothiophen-2-yl)sulfonyl-3,5-difluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-3-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-(trifluoromethyl)benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-3-methyl-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]benzamide?

The InChIKey is FSPHHKAALFPVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClF3N4O5S2.C21H17ClN4O5S2.C20H13ClF2N4O5S2.C20H14ClFN4O5S2.C20H18ClN7O4S.C19H16ClN7O3S/c1-26-11-3-4-12-14(9-11)27-20(32)29(19(12)31)15-5-2-10(8-13(15)21(23,24)25)18(30)28-36(33,34)17-7-6-16(22)35-17;1-11-9-12(19(27)25-33(30,31)18-8-7-17(22)32-18)3-6-16(11)26-20(28)14-5-4-13(23-2)10-15(14)24-21(26)29;1-24-10-2-3-11-14(8-10)25-20(30)27(19(11)29)17-12(22)6-9(7-13(17)23)18(28)26-34(31,32)16-5-4-15(21)33-16;1-23-11-3-4-12-14(9-11)24-20(29)26(19(12)28)15-5-2-10(8-13(15)22)18(27)25-33(30,31)17-7-6-16(21)32-17;1-22-10-3-5-12-13(7-10)26-20(31)28(17(12)29)18-23-9-14(16(27-18)32-2)25-19(30)24-8-11-4-6-15(21)33-11;1-21-10-2-4-12-13(8-10)23-19(30)27(17(12)28)16-7-6-15(25-26-16)24-18(29)22-9-11-3-5-14(20)31-11/h2-9,26H,1H3,(H,27,32)(H,28,30);3-10,23H,1-2H3,(H,24,29)(H,25,27);2-8,24H,1H3,(H,25,30)(H,26,28);2-9,23H,1H3,(H,24,29)(H,25,27);3-7,9,22H,8H2,1-2H3,(H,26,31)(H2,24,25,30);2-8,21H,9H2,1H3,(H,23,30)(H2,22,24,25,29).

What are the key properties of 1-[(5-chlorothiophen-2-yl)methyl]-3-[4-methoxy-2-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrimidin-5-yl]urea;1-[(5-chlorothiophen-2-yl)methyl]-3-[6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyridazin-3-yl]urea;N-(5-chlorothiophen-2-yl)sulfonyl-3,5-difluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-3-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-(trifluoromethyl)benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-3-methyl-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]benzamide?

1-[(5-chlorothiophen-2-yl)methyl]-3-[4-methoxy-2-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrimidin-5-yl]urea;1-[(5-chlorothiophen-2-yl)methyl]-3-[6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyridazin-3-yl]urea;N-(5-chlorothiophen-2-yl)sulfonyl-3,5-difluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-3-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-(trifluoromethyl)benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-3-methyl-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]benzamide has a molecular weight of 3045.63 g/mol, XLogP of 17.06, 31 rotatable bonds, 20 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(5-chlorothiophen-2-yl)methyl]-3-[4-methoxy-2-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrimidin-5-yl]urea;1-[(5-chlorothiophen-2-yl)methyl]-3-[6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyridazin-3-yl]urea;N-(5-chlorothiophen-2-yl)sulfonyl-3,5-difluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-3-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-(trifluoromethyl)benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-3-methyl-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]benzamide is sourced from PubChem (CID 158129541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).