1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-(trifluoromethyl)phenyl]urea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(2-methyl-5-oxo-1,3-dihydropyrrolo[3,4-c]isoquinolin-4-yl)-3-pyridinyl]urea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(5-oxo-2,3-dihydro-1H-pyrrolo[3,4-c]isoquinolin-4-yl)-3-pyridinyl]urea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(5-oxo-[1,3]oxazolo[4,5-g]isoquinolin-6-yl)-3-pyridinyl]urea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(2-oxo-5-phenyl-1-pyridinyl)-3-pyridinyl]urea

C105H76ClF7N24O22S10 — CID 160540722

About 1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-(trifluoromethyl)phenyl]urea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(2-methyl-5-oxo-1,3-dihydropyrrolo[3,4-c]isoquinolin-4-yl)-3-pyridinyl]urea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(5-oxo-2,3-dihydro-1H-pyrrolo[3,4-c]isoquinolin-4-yl)-3-pyridinyl]urea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(5-oxo-[1,3]oxazolo[4,5-g]isoquinolin-6-yl)-3-pyridinyl]urea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(2-oxo-5-phenyl-1-pyridinyl)-3-pyridinyl]urea

1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-(trifluoromethyl)phenyl]urea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(2-methyl-5-oxo-1,3-dihydropyrrolo[3,4-c]isoquinolin-4-yl)-3-pyridinyl]urea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(5-oxo-2,3-dihydro-1H-pyrrolo[3,4-c]isoquinolin-4-yl)-3-pyridinyl]urea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(5-oxo-[1,3]oxazolo[4,5-g]isoquinolin-6-yl)-3-pyridinyl]urea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(2-oxo-5-phenyl-1-pyridinyl)-3-pyridinyl]urea (PubChem CID 160540722) has the molecular formula C105H76ClF7N24O22S10 and a molecular weight of 2515.02 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-(trifluoromethyl)phenyl]urea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(2-methyl-5-oxo-1,3-dihydropyrrolo[3,4-c]isoquinolin-4-yl)-3-pyridinyl]urea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(5-oxo-2,3-dihydro-1H-pyrrolo[3,4-c]isoquinolin-4-yl)-3-pyridinyl]urea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(5-oxo-[1,3]oxazolo[4,5-g]isoquinolin-6-yl)-3-pyridinyl]urea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(2-oxo-5-phenyl-1-pyridinyl)-3-pyridinyl]urea.

Molecular Properties

• Compound Name: 1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-(trifluoromethyl)phenyl]urea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(2-methyl-5-oxo-1,3-dihydropyrrolo[3,4-c]isoquinolin-4-yl)-3-pyridinyl]urea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(5-oxo-2,3-dihydro-1H-pyrrolo[3,4-c]isoquinolin-4-yl)-3-pyridinyl]urea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(5-oxo-[1,3]oxazolo[4,5-g]isoquinolin-6-yl)-3-pyridinyl]urea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(2-oxo-5-phenyl-1-pyridinyl)-3-pyridinyl]urea
• PubChem CID: 160540722
• Molecular Formula: C105H76ClF7N24O22S10
• Molecular Weight: 2515.02 g/mol
• Exact Mass: 2512.23
• IUPAC Name: 1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-(trifluoromethyl)phenyl]urea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(2-methyl-5-oxo-1,3-dihydropyrrolo[3,4-c]isoquinolin-4-yl)-3-pyridinyl]urea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(5-oxo-2,3-dihydro-1H-pyrrolo[3,4-c]isoquinolin-4-yl)-3-pyridinyl]urea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(5-oxo-[1,3]oxazolo[4,5-g]isoquinolin-6-yl)-3-pyridinyl]urea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(2-oxo-5-phenyl-1-pyridinyl)-3-pyridinyl]urea
• SMILES: CN1Cc2c(n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(F)s4)cn3)c(=O)c3ccccc23)C1.CNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3C(F)(F)F)c(=O)[nH]c2c1.O=C(Nc1ccc(-n2c3c(c4ccccc4c2=O)CNC3)nc1)NS(=O)(=O)c1ccc(F)s1.O=C(Nc1ccc(-n2cc(-c3ccccc3)ccc2=O)nc1)NS(=O)(=O)c1ccc(F)s1.O=C(Nc1ccc(-n2ccc3cc4ncoc4cc3c2=O)nc1)NS(=O)(=O)c1ccc(F)s1
• InChI: InChI=1S/C22H18FN5O4S2.C21H15ClF3N5O5S2.C21H16FN5O4S2.C21H15FN4O4S2.C20H12FN5O5S2/c1-27-11-16-14-4-2-3-5-15(14)21(29)28(17(16)12-27)19-8-6-13(10-24-19)25-22(30)26-34(31,32)20-9-7-18(23)33-20;1-26-10-2-4-12-14(9-10)28-20(33)30(18(12)31)15-5-3-11(8-13(15)21(23,24)25)27-19(32)29-37(34,35)17-7-6-16(22)36-17;22-17-6-8-19(32-17)33(30,31)26-21(29)25-12-5-7-18(24-9-12)27-16-11-23-10-15(16)13-3-1-2-4-14(13)20(27)28;22-17-8-11-20(31-17)32(29,30)25-21(28)24-16-7-9-18(23-12-16)26-13-15(6-10-19(26)27)14-4-2-1-3-5-14;21-16-2-4-18(32-16)33(29,30)25-20(28)24-12-1-3-17(22-9-12)26-6-5-11-7-14-15(31-10-23-14)8-13(11)19(26)27/h2-10H,11-12H2,1H3,(H2,25,26,30);2-9,26H,1H3,(H,28,33)(H2,27,29,32);1-9,23H,10-11H2,(H2,25,26,29);1-13H,(H2,24,25,28);1-10H,(H2,24,25,28)
• InChIKey: QWTBFOTTYRWFJX-UHFFFAOYSA-N
• XLogP: 16.56
• TPSA: 624.10 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 40
• Rotatable Bonds: 22
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2515.02
LogP ≤ 5	16.56
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-(trifluoromethyl)phenyl]urea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(2-methyl-5-oxo-1,3-dihydropyrrolo[3,4-c]isoquinolin-4-yl)-3-pyridinyl]urea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(5-oxo-2,3-dihydro-1H-pyrrolo[3,4-c]isoquinolin-4-yl)-3-pyridinyl]urea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(5-oxo-[1,3]oxazolo[4,5-g]isoquinolin-6-yl)-3-pyridinyl]urea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(2-oxo-5-phenyl-1-pyridinyl)-3-pyridinyl]urea?

The IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-(trifluoromethyl)phenyl]urea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(2-methyl-5-oxo-1,3-dihydropyrrolo[3,4-c]isoquinolin-4-yl)-3-pyridinyl]urea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(5-oxo-2,3-dihydro-1H-pyrrolo[3,4-c]isoquinolin-4-yl)-3-pyridinyl]urea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(5-oxo-[1,3]oxazolo[4,5-g]isoquinolin-6-yl)-3-pyridinyl]urea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(2-oxo-5-phenyl-1-pyridinyl)-3-pyridinyl]urea (CID 160540722) is 1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-(trifluoromethyl)phenyl]urea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(2-methyl-5-oxo-1,3-dihydropyrrolo[3,4-c]isoquinolin-4-yl)-3-pyridinyl]urea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(5-oxo-2,3-dihydro-1H-pyrrolo[3,4-c]isoquinolin-4-yl)-3-pyridinyl]urea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(5-oxo-[1,3]oxazolo[4,5-g]isoquinolin-6-yl)-3-pyridinyl]urea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(2-oxo-5-phenyl-1-pyridinyl)-3-pyridinyl]urea.

What is the SMILES notation for 1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-(trifluoromethyl)phenyl]urea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(2-methyl-5-oxo-1,3-dihydropyrrolo[3,4-c]isoquinolin-4-yl)-3-pyridinyl]urea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(5-oxo-2,3-dihydro-1H-pyrrolo[3,4-c]isoquinolin-4-yl)-3-pyridinyl]urea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(5-oxo-[1,3]oxazolo[4,5-g]isoquinolin-6-yl)-3-pyridinyl]urea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(2-oxo-5-phenyl-1-pyridinyl)-3-pyridinyl]urea?

The canonical SMILES for 1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-(trifluoromethyl)phenyl]urea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(2-methyl-5-oxo-1,3-dihydropyrrolo[3,4-c]isoquinolin-4-yl)-3-pyridinyl]urea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(5-oxo-2,3-dihydro-1H-pyrrolo[3,4-c]isoquinolin-4-yl)-3-pyridinyl]urea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(5-oxo-[1,3]oxazolo[4,5-g]isoquinolin-6-yl)-3-pyridinyl]urea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(2-oxo-5-phenyl-1-pyridinyl)-3-pyridinyl]urea is CN1Cc2c(n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(F)s4)cn3)c(=O)c3ccccc23)C1.CNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3C(F)(F)F)c(=O)[nH]c2c1.O=C(Nc1ccc(-n2c3c(c4ccccc4c2=O)CNC3)nc1)NS(=O)(=O)c1ccc(F)s1.O=C(Nc1ccc(-n2cc(-c3ccccc3)ccc2=O)nc1)NS(=O)(=O)c1ccc(F)s1.O=C(Nc1ccc(-n2ccc3cc4ncoc4cc3c2=O)nc1)NS(=O)(=O)c1ccc(F)s1.

What is the InChIKey of 1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-(trifluoromethyl)phenyl]urea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(2-methyl-5-oxo-1,3-dihydropyrrolo[3,4-c]isoquinolin-4-yl)-3-pyridinyl]urea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(5-oxo-2,3-dihydro-1H-pyrrolo[3,4-c]isoquinolin-4-yl)-3-pyridinyl]urea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(5-oxo-[1,3]oxazolo[4,5-g]isoquinolin-6-yl)-3-pyridinyl]urea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(2-oxo-5-phenyl-1-pyridinyl)-3-pyridinyl]urea?

The InChIKey is QWTBFOTTYRWFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O4S2.C21H15ClF3N5O5S2.C21H16FN5O4S2.C21H15FN4O4S2.C20H12FN5O5S2/c1-27-11-16-14-4-2-3-5-15(14)21(29)28(17(16)12-27)19-8-6-13(10-24-19)25-22(30)26-34(31,32)20-9-7-18(23)33-20;1-26-10-2-4-12-14(9-10)28-20(33)30(18(12)31)15-5-3-11(8-13(15)21(23,24)25)27-19(32)29-37(34,35)17-7-6-16(22)36-17;22-17-6-8-19(32-17)33(30,31)26-21(29)25-12-5-7-18(24-9-12)27-16-11-23-10-15(16)13-3-1-2-4-14(13)20(27)28;22-17-8-11-20(31-17)32(29,30)25-21(28)24-16-7-9-18(23-12-16)26-13-15(6-10-19(26)27)14-4-2-1-3-5-14;21-16-2-4-18(32-16)33(29,30)25-20(28)24-12-1-3-17(22-9-12)26-6-5-11-7-14-15(31-10-23-14)8-13(11)19(26)27/h2-10H,11-12H2,1H3,(H2,25,26,30);2-9,26H,1H3,(H,28,33)(H2,27,29,32);1-9,23H,10-11H2,(H2,25,26,29);1-13H,(H2,24,25,28);1-10H,(H2,24,25,28).

What are the key properties of 1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-(trifluoromethyl)phenyl]urea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(2-methyl-5-oxo-1,3-dihydropyrrolo[3,4-c]isoquinolin-4-yl)-3-pyridinyl]urea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(5-oxo-2,3-dihydro-1H-pyrrolo[3,4-c]isoquinolin-4-yl)-3-pyridinyl]urea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(5-oxo-[1,3]oxazolo[4,5-g]isoquinolin-6-yl)-3-pyridinyl]urea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(2-oxo-5-phenyl-1-pyridinyl)-3-pyridinyl]urea?

1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-(trifluoromethyl)phenyl]urea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(2-methyl-5-oxo-1,3-dihydropyrrolo[3,4-c]isoquinolin-4-yl)-3-pyridinyl]urea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(5-oxo-2,3-dihydro-1H-pyrrolo[3,4-c]isoquinolin-4-yl)-3-pyridinyl]urea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(5-oxo-[1,3]oxazolo[4,5-g]isoquinolin-6-yl)-3-pyridinyl]urea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(2-oxo-5-phenyl-1-pyridinyl)-3-pyridinyl]urea has a molecular weight of 2515.02 g/mol, XLogP of 16.56, 22 rotatable bonds, 13 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-(trifluoromethyl)phenyl]urea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(2-methyl-5-oxo-1,3-dihydropyrrolo[3,4-c]isoquinolin-4-yl)-3-pyridinyl]urea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(5-oxo-2,3-dihydro-1H-pyrrolo[3,4-c]isoquinolin-4-yl)-3-pyridinyl]urea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(5-oxo-[1,3]oxazolo[4,5-g]isoquinolin-6-yl)-3-pyridinyl]urea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(2-oxo-5-phenyl-1-pyridinyl)-3-pyridinyl]urea is sourced from PubChem (CID 160540722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).