3-[2-chloro-4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-6-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-3-fluoro-2-pyridinyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-2-fluoro-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]pyrazin-2-yl]-7-methyl-1H-quinazoline-2,4-dione;3-[6-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]pyridazin-3-yl]-7-methyl-1H-quinazoline-2,4-dione

C101H65Cl6F6N15O25S10 — CID 157298299

About 3-[2-chloro-4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-6-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-3-fluoro-2-pyridinyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-2-fluoro-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]pyrazin-2-yl]-7-methyl-1H-quinazoline-2,4-dione;3-[6-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]pyridazin-3-yl]-7-methyl-1H-quinazoline-2,4-dione

3-[2-chloro-4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-6-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-3-fluoro-2-pyridinyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-2-fluoro-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]pyrazin-2-yl]-7-methyl-1H-quinazoline-2,4-dione;3-[6-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]pyridazin-3-yl]-7-methyl-1H-quinazoline-2,4-dione (PubChem CID 157298299) has the molecular formula C101H65Cl6F6N15O25S10 and a molecular weight of 2536.09 g/mol. Its IUPAC name is 3-[2-chloro-4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-6-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-3-fluoro-2-pyridinyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-2-fluoro-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]pyrazin-2-yl]-7-methyl-1H-quinazoline-2,4-dione;3-[6-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]pyridazin-3-yl]-7-methyl-1H-quinazoline-2,4-dione.

Molecular Properties

• Compound Name: 3-[2-chloro-4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-6-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-3-fluoro-2-pyridinyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-2-fluoro-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]pyrazin-2-yl]-7-methyl-1H-quinazoline-2,4-dione;3-[6-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]pyridazin-3-yl]-7-methyl-1H-quinazoline-2,4-dione
• PubChem CID: 157298299
• Molecular Formula: C101H65Cl6F6N15O25S10
• Molecular Weight: 2536.09 g/mol
• Exact Mass: 2530.95
• IUPAC Name: 3-[2-chloro-4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-6-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-3-fluoro-2-pyridinyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-2-fluoro-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]pyrazin-2-yl]-7-methyl-1H-quinazoline-2,4-dione;3-[6-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]pyridazin-3-yl]-7-methyl-1H-quinazoline-2,4-dione
• SMILES: Cc1ccc2c(=O)n(-c3c(F)cc(C(=O)CS(=O)(=O)c4ccc(Cl)s4)cc3C(F)(F)F)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3c(F)cc(C(=O)CS(=O)(=O)c4ccc(Cl)s4)cc3Cl)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3ccc(C(=O)CS(=O)(=O)c4ccc(Cl)s4)nn3)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3cnc(C(=O)CS(=O)(=O)c4ccc(Cl)s4)cn3)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3ncc(C(=O)CS(=O)(=O)c4ccc(Cl)s4)cc3F)c(=O)[nH]c2c1
• InChI: InChI=1S/C22H13ClF4N2O5S2.C21H13Cl2FN2O5S2.C20H13ClFN3O5S2.2C19H13ClN4O5S2/c1-10-2-3-12-15(6-10)28-21(32)29(20(12)31)19-13(22(25,26)27)7-11(8-14(19)24)16(30)9-36(33,34)18-5-4-17(23)35-18;1-10-2-3-12-15(6-10)25-21(29)26(20(12)28)19-13(22)7-11(8-14(19)24)16(27)9-33(30,31)18-5-4-17(23)32-18;1-10-2-3-12-14(6-10)24-20(28)25(19(12)27)18-13(22)7-11(8-23-18)15(26)9-32(29,30)17-5-4-16(21)31-17;1-10-2-3-11-13(8-10)21-19(27)24(18(11)26)16-6-4-12(22-23-16)14(25)9-31(28,29)17-7-5-15(20)30-17;1-10-2-3-11-12(6-10)23-19(27)24(18(11)26)16-8-21-13(7-22-16)14(25)9-31(28,29)17-5-4-15(20)30-17/h2-8H,9H2,1H3,(H,28,32);2-8H,9H2,1H3,(H,25,29);2-8H,9H2,1H3,(H,24,28);2-8H,9H2,1H3,(H,21,27);2-8H,9H2,1H3,(H,23,27)
• InChIKey: BBPCXVSNHLUYSP-UHFFFAOYSA-N
• XLogP: 15.86
• TPSA: 594.80 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 40
• Rotatable Bonds: 25
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2536.09
LogP ≤ 5	15.86
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

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

The IUPAC name of 3-[2-chloro-4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-6-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-3-fluoro-2-pyridinyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-2-fluoro-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]pyrazin-2-yl]-7-methyl-1H-quinazoline-2,4-dione;3-[6-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]pyridazin-3-yl]-7-methyl-1H-quinazoline-2,4-dione (CID 157298299) is 3-[2-chloro-4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-6-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-3-fluoro-2-pyridinyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-2-fluoro-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]pyrazin-2-yl]-7-methyl-1H-quinazoline-2,4-dione;3-[6-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]pyridazin-3-yl]-7-methyl-1H-quinazoline-2,4-dione.

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

The canonical SMILES for 3-[2-chloro-4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-6-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-3-fluoro-2-pyridinyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-2-fluoro-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]pyrazin-2-yl]-7-methyl-1H-quinazoline-2,4-dione;3-[6-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]pyridazin-3-yl]-7-methyl-1H-quinazoline-2,4-dione is Cc1ccc2c(=O)n(-c3c(F)cc(C(=O)CS(=O)(=O)c4ccc(Cl)s4)cc3C(F)(F)F)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3c(F)cc(C(=O)CS(=O)(=O)c4ccc(Cl)s4)cc3Cl)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3ccc(C(=O)CS(=O)(=O)c4ccc(Cl)s4)nn3)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3cnc(C(=O)CS(=O)(=O)c4ccc(Cl)s4)cn3)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3ncc(C(=O)CS(=O)(=O)c4ccc(Cl)s4)cc3F)c(=O)[nH]c2c1.

What is the InChIKey of 3-[2-chloro-4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-6-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-3-fluoro-2-pyridinyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-2-fluoro-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]pyrazin-2-yl]-7-methyl-1H-quinazoline-2,4-dione;3-[6-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]pyridazin-3-yl]-7-methyl-1H-quinazoline-2,4-dione?

The InChIKey is BBPCXVSNHLUYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13ClF4N2O5S2.C21H13Cl2FN2O5S2.C20H13ClFN3O5S2.2C19H13ClN4O5S2/c1-10-2-3-12-15(6-10)28-21(32)29(20(12)31)19-13(22(25,26)27)7-11(8-14(19)24)16(30)9-36(33,34)18-5-4-17(23)35-18;1-10-2-3-12-15(6-10)25-21(29)26(20(12)28)19-13(22)7-11(8-14(19)24)16(27)9-33(30,31)18-5-4-17(23)32-18;1-10-2-3-12-14(6-10)24-20(28)25(19(12)27)18-13(22)7-11(8-23-18)15(26)9-32(29,30)17-5-4-16(21)31-17;1-10-2-3-11-13(8-10)21-19(27)24(18(11)26)16-6-4-12(22-23-16)14(25)9-31(28,29)17-7-5-15(20)30-17;1-10-2-3-11-12(6-10)23-19(27)24(18(11)26)16-8-21-13(7-22-16)14(25)9-31(28,29)17-5-4-15(20)30-17/h2-8H,9H2,1H3,(H,28,32);2-8H,9H2,1H3,(H,25,29);2-8H,9H2,1H3,(H,24,28);2-8H,9H2,1H3,(H,21,27);2-8H,9H2,1H3,(H,23,27).

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

3-[2-chloro-4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-6-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-3-fluoro-2-pyridinyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-2-fluoro-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]pyrazin-2-yl]-7-methyl-1H-quinazoline-2,4-dione;3-[6-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]pyridazin-3-yl]-7-methyl-1H-quinazoline-2,4-dione has a molecular weight of 2536.09 g/mol, XLogP of 15.86, 25 rotatable bonds, 5 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-chloro-4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-6-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-3-fluoro-2-pyridinyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-2-fluoro-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]pyrazin-2-yl]-7-methyl-1H-quinazoline-2,4-dione;3-[6-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]pyridazin-3-yl]-7-methyl-1H-quinazoline-2,4-dione is sourced from PubChem (CID 157298299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).