3-[5-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-3-fluoro-2-pyridinyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluoro-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-4-methoxypyrimidin-2-yl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]pyrazin-2-yl]-7-methyl-1H-quinazoline-2,4-dione;3-[6-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]pyridazin-3-yl]-7-methyl-1H-quinazoline-2,4-dione

C105H72Cl10F5N17O26S10 — CID 159579756

About 3-[5-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-3-fluoro-2-pyridinyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluoro-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-4-methoxypyrimidin-2-yl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]pyrazin-2-yl]-7-methyl-1H-quinazoline-2,4-dione;3-[6-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]pyridazin-3-yl]-7-methyl-1H-quinazoline-2,4-dione

3-[5-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-3-fluoro-2-pyridinyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluoro-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-4-methoxypyrimidin-2-yl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]pyrazin-2-yl]-7-methyl-1H-quinazoline-2,4-dione;3-[6-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]pyridazin-3-yl]-7-methyl-1H-quinazoline-2,4-dione (PubChem CID 159579756) has the molecular formula C105H72Cl10F5N17O26S10 and a molecular weight of 2758.01 g/mol. Its IUPAC name is 3-[5-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-3-fluoro-2-pyridinyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluoro-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-4-methoxypyrimidin-2-yl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]pyrazin-2-yl]-7-methyl-1H-quinazoline-2,4-dione;3-[6-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]pyridazin-3-yl]-7-methyl-1H-quinazoline-2,4-dione.

Molecular Properties

• Compound Name: 3-[5-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-3-fluoro-2-pyridinyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluoro-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-4-methoxypyrimidin-2-yl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]pyrazin-2-yl]-7-methyl-1H-quinazoline-2,4-dione;3-[6-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]pyridazin-3-yl]-7-methyl-1H-quinazoline-2,4-dione
• PubChem CID: 159579756
• Molecular Formula: C105H72Cl10F5N17O26S10
• Molecular Weight: 2758.01 g/mol
• Exact Mass: 2750.88
• IUPAC Name: 3-[5-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-3-fluoro-2-pyridinyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluoro-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-4-methoxypyrimidin-2-yl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]pyrazin-2-yl]-7-methyl-1H-quinazoline-2,4-dione;3-[6-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]pyridazin-3-yl]-7-methyl-1H-quinazoline-2,4-dione
• SMILES: COc1nc(-n2c(=O)[nH]c3cc(C)ccc3c2=O)ncc1CC(=O)CS(=O)(=O)c1cc(Cl)c(Cl)s1.Cc1ccc2c(=O)n(-c3c(F)cc(CC(=O)CS(=O)(=O)c4cc(Cl)c(Cl)s4)cc3C(F)(F)F)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4cc(Cl)c(Cl)s4)nn3)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3cnc(CC(=O)CS(=O)(=O)c4cc(Cl)c(Cl)s4)cn3)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3ncc(CC(=O)CS(=O)(=O)c4cc(Cl)c(Cl)s4)cc3F)c(=O)[nH]c2c1
• InChI: InChI=1S/C23H14Cl2F4N2O5S2.C21H14Cl2FN3O5S2.C21H16Cl2N4O6S2.2C20H14Cl2N4O5S2/c1-10-2-3-13-17(4-10)30-22(34)31(21(13)33)19-14(23(27,28)29)6-11(7-16(19)26)5-12(32)9-38(35,36)18-8-15(24)20(25)37-18;1-10-2-3-13-16(4-10)26-21(30)27(20(13)29)19-15(24)6-11(8-25-19)5-12(28)9-34(31,32)17-7-14(22)18(23)33-17;1-10-3-4-13-15(5-10)25-21(30)27(19(13)29)20-24-8-11(18(26-20)33-2)6-12(28)9-35(31,32)16-7-14(22)17(23)34-16;1-10-2-4-13-15(6-10)23-20(29)26(19(13)28)16-5-3-11(24-25-16)7-12(27)9-33(30,31)17-8-14(21)18(22)32-17;1-10-2-3-13-15(4-10)25-20(29)26(19(13)28)16-8-23-11(7-24-16)5-12(27)9-33(30,31)17-6-14(21)18(22)32-17/h2-4,6-8H,5,9H2,1H3,(H,30,34);2-4,6-8H,5,9H2,1H3,(H,26,30);3-5,7-8H,6,9H2,1-2H3,(H,25,30);2-6,8H,7,9H2,1H3,(H,23,29);2-4,6-8H,5,9H2,1H3,(H,25,29)
• InChIKey: MIWBTPAZRFUCSV-UHFFFAOYSA-N
• XLogP: 16.78
• TPSA: 629.81 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 43
• Rotatable Bonds: 31
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2758.01
LogP ≤ 5	16.78
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	43

Frequently Asked Questions

What is the IUPAC name of 3-[5-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-3-fluoro-2-pyridinyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluoro-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-4-methoxypyrimidin-2-yl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]pyrazin-2-yl]-7-methyl-1H-quinazoline-2,4-dione;3-[6-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]pyridazin-3-yl]-7-methyl-1H-quinazoline-2,4-dione?

The IUPAC name of 3-[5-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-3-fluoro-2-pyridinyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluoro-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-4-methoxypyrimidin-2-yl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]pyrazin-2-yl]-7-methyl-1H-quinazoline-2,4-dione;3-[6-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]pyridazin-3-yl]-7-methyl-1H-quinazoline-2,4-dione (CID 159579756) is 3-[5-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-3-fluoro-2-pyridinyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluoro-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-4-methoxypyrimidin-2-yl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]pyrazin-2-yl]-7-methyl-1H-quinazoline-2,4-dione;3-[6-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]pyridazin-3-yl]-7-methyl-1H-quinazoline-2,4-dione.

What is the SMILES notation for 3-[5-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-3-fluoro-2-pyridinyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluoro-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-4-methoxypyrimidin-2-yl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]pyrazin-2-yl]-7-methyl-1H-quinazoline-2,4-dione;3-[6-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]pyridazin-3-yl]-7-methyl-1H-quinazoline-2,4-dione?

The canonical SMILES for 3-[5-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-3-fluoro-2-pyridinyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluoro-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-4-methoxypyrimidin-2-yl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]pyrazin-2-yl]-7-methyl-1H-quinazoline-2,4-dione;3-[6-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]pyridazin-3-yl]-7-methyl-1H-quinazoline-2,4-dione is COc1nc(-n2c(=O)[nH]c3cc(C)ccc3c2=O)ncc1CC(=O)CS(=O)(=O)c1cc(Cl)c(Cl)s1.Cc1ccc2c(=O)n(-c3c(F)cc(CC(=O)CS(=O)(=O)c4cc(Cl)c(Cl)s4)cc3C(F)(F)F)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4cc(Cl)c(Cl)s4)nn3)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3cnc(CC(=O)CS(=O)(=O)c4cc(Cl)c(Cl)s4)cn3)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3ncc(CC(=O)CS(=O)(=O)c4cc(Cl)c(Cl)s4)cc3F)c(=O)[nH]c2c1.

What is the InChIKey of 3-[5-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-3-fluoro-2-pyridinyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluoro-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-4-methoxypyrimidin-2-yl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]pyrazin-2-yl]-7-methyl-1H-quinazoline-2,4-dione;3-[6-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]pyridazin-3-yl]-7-methyl-1H-quinazoline-2,4-dione?

The InChIKey is MIWBTPAZRFUCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14Cl2F4N2O5S2.C21H14Cl2FN3O5S2.C21H16Cl2N4O6S2.2C20H14Cl2N4O5S2/c1-10-2-3-13-17(4-10)30-22(34)31(21(13)33)19-14(23(27,28)29)6-11(7-16(19)26)5-12(32)9-38(35,36)18-8-15(24)20(25)37-18;1-10-2-3-13-16(4-10)26-21(30)27(20(13)29)19-15(24)6-11(8-25-19)5-12(28)9-34(31,32)17-7-14(22)18(23)33-17;1-10-3-4-13-15(5-10)25-21(30)27(19(13)29)20-24-8-11(18(26-20)33-2)6-12(28)9-35(31,32)16-7-14(22)17(23)34-16;1-10-2-4-13-15(6-10)23-20(29)26(19(13)28)16-5-3-11(24-25-16)7-12(27)9-33(30,31)17-8-14(21)18(22)32-17;1-10-2-3-13-15(4-10)25-20(29)26(19(13)28)16-8-23-11(7-24-16)5-12(27)9-33(30,31)17-6-14(21)18(22)32-17/h2-4,6-8H,5,9H2,1H3,(H,30,34);2-4,6-8H,5,9H2,1H3,(H,26,30);3-5,7-8H,6,9H2,1-2H3,(H,25,30);2-6,8H,7,9H2,1H3,(H,23,29);2-4,6-8H,5,9H2,1H3,(H,25,29).

What are the key properties of 3-[5-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-3-fluoro-2-pyridinyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluoro-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-4-methoxypyrimidin-2-yl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]pyrazin-2-yl]-7-methyl-1H-quinazoline-2,4-dione;3-[6-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]pyridazin-3-yl]-7-methyl-1H-quinazoline-2,4-dione?

3-[5-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-3-fluoro-2-pyridinyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluoro-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-4-methoxypyrimidin-2-yl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]pyrazin-2-yl]-7-methyl-1H-quinazoline-2,4-dione;3-[6-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]pyridazin-3-yl]-7-methyl-1H-quinazoline-2,4-dione has a molecular weight of 2758.01 g/mol, XLogP of 16.78, 31 rotatable bonds, 5 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-3-fluoro-2-pyridinyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluoro-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-4-methoxypyrimidin-2-yl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]pyrazin-2-yl]-7-methyl-1H-quinazoline-2,4-dione;3-[6-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]pyridazin-3-yl]-7-methyl-1H-quinazoline-2,4-dione is sourced from PubChem (CID 159579756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).