potassium;3-(4-aminophenyl)-6,7-difluoro-1H-quinazoline-2,4-dione;3-(4-aminophenyl)-6-fluoro-7-(methylamino)-1H-quinazoline-2,4-dione;(5-chlorothiophen-2-yl)sulfonyl-[2-[4-[6-fluoro-7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]acetyl]azanide;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-fluoro-7-(methylamino)-1H-quinazoline-2,4-dione;ethyl 2-(5-chlorothiophen-2-yl)sulfonylacetate;hydrochloride

C80H64Cl4F5KN14O18S6 — CID 157331292

About potassium;3-(4-aminophenyl)-6,7-difluoro-1H-quinazoline-2,4-dione;3-(4-aminophenyl)-6-fluoro-7-(methylamino)-1H-quinazoline-2,4-dione;(5-chlorothiophen-2-yl)sulfonyl-[2-[4-[6-fluoro-7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]acetyl]azanide;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-fluoro-7-(methylamino)-1H-quinazoline-2,4-dione;ethyl 2-(5-chlorothiophen-2-yl)sulfonylacetate;hydrochloride

potassium;3-(4-aminophenyl)-6,7-difluoro-1H-quinazoline-2,4-dione;3-(4-aminophenyl)-6-fluoro-7-(methylamino)-1H-quinazoline-2,4-dione;(5-chlorothiophen-2-yl)sulfonyl-[2-[4-[6-fluoro-7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]acetyl]azanide;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-fluoro-7-(methylamino)-1H-quinazoline-2,4-dione;ethyl 2-(5-chlorothiophen-2-yl)sulfonylacetate;hydrochloride (PubChem CID 157331292) has the molecular formula C80H64Cl4F5KN14O18S6 and a molecular weight of 1977.77 g/mol. Its IUPAC name is potassium;3-(4-aminophenyl)-6,7-difluoro-1H-quinazoline-2,4-dione;3-(4-aminophenyl)-6-fluoro-7-(methylamino)-1H-quinazoline-2,4-dione;(5-chlorothiophen-2-yl)sulfonyl-[2-[4-[6-fluoro-7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]acetyl]azanide;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-fluoro-7-(methylamino)-1H-quinazoline-2,4-dione;ethyl 2-(5-chlorothiophen-2-yl)sulfonylacetate;hydrochloride.

Molecular Properties

• Compound Name: potassium;3-(4-aminophenyl)-6,7-difluoro-1H-quinazoline-2,4-dione;3-(4-aminophenyl)-6-fluoro-7-(methylamino)-1H-quinazoline-2,4-dione;(5-chlorothiophen-2-yl)sulfonyl-[2-[4-[6-fluoro-7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]acetyl]azanide;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-fluoro-7-(methylamino)-1H-quinazoline-2,4-dione;ethyl 2-(5-chlorothiophen-2-yl)sulfonylacetate;hydrochloride
• PubChem CID: 157331292
• Molecular Formula: C80H64Cl4F5KN14O18S6
• Molecular Weight: 1977.77 g/mol
• Exact Mass: 1974.12
• IUPAC Name: potassium;3-(4-aminophenyl)-6,7-difluoro-1H-quinazoline-2,4-dione;3-(4-aminophenyl)-6-fluoro-7-(methylamino)-1H-quinazoline-2,4-dione;(5-chlorothiophen-2-yl)sulfonyl-[2-[4-[6-fluoro-7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]acetyl]azanide;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-fluoro-7-(methylamino)-1H-quinazoline-2,4-dione;ethyl 2-(5-chlorothiophen-2-yl)sulfonylacetate;hydrochloride
• SMILES: CCOC(=O)CS(=O)(=O)c1ccc(Cl)s1.CNc1cc2[nH]c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cc3)c(=O)c2cc1F.CNc1cc2[nH]c(=O)n(-c3ccc(CC(=O)[N-]S(=O)(=O)c4ccc(Cl)s4)cc3)c(=O)c2cc1F.CNc1cc2[nH]c(=O)n(-c3ccc(N)cc3)c(=O)c2cc1F.Cl.Nc1ccc(-n2c(=O)[nH]c3cc(F)c(F)cc3c2=O)cc1.[K+]
• InChI: InChI=1S/C22H17ClFN3O5S2.C21H16ClFN4O5S2.C15H13FN4O2.C14H9F2N3O2.C8H9ClO4S2.ClH.K/c1-25-18-10-17-15(9-16(18)24)21(29)27(22(30)26-17)13-4-2-12(3-5-13)8-14(28)11-34(31,32)20-7-6-19(23)33-20;1-24-16-10-15-13(9-14(16)23)20(29)27(21(30)25-15)12-4-2-11(3-5-12)8-18(28)26-34(31,32)19-7-6-17(22)33-19;1-18-13-7-12-10(6-11(13)16)14(21)20(15(22)19-12)9-4-2-8(17)3-5-9;15-10-5-9-12(6-11(10)16)18-14(21)19(13(9)20)8-3-1-7(17)2-4-8;1-2-13-7(10)5-15(11,12)8-4-3-6(9)14-8;;/h2-7,9-10,25H,8,11H2,1H3,(H,26,30);2-7,9-10H,8H2,1H3,(H3,24,25,26,28,29,30);2-7,18H,17H2,1H3,(H,19,22);1-6H,17H2,(H,18,21);3-4H,2,5H2,1H3;1H;/q;;;;;;+1/p-1
• InChIKey: NTNPPEBVTDXFNB-UHFFFAOYSA-M
• XLogP: 8.71
• TPSA: 484.53 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 30
• Rotatable Bonds: 20
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1977.77
LogP ≤ 5	8.71
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium;3-(4-aminophenyl)-6,7-difluoro-1H-quinazoline-2,4-dione;3-(4-aminophenyl)-6-fluoro-7-(methylamino)-1H-quinazoline-2,4-dione;(5-chlorothiophen-2-yl)sulfonyl-[2-[4-[6-fluoro-7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]acetyl]azanide;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-fluoro-7-(methylamino)-1H-quinazoline-2,4-dione;ethyl 2-(5-chlorothiophen-2-yl)sulfonylacetate;hydrochloride?

The IUPAC name of potassium;3-(4-aminophenyl)-6,7-difluoro-1H-quinazoline-2,4-dione;3-(4-aminophenyl)-6-fluoro-7-(methylamino)-1H-quinazoline-2,4-dione;(5-chlorothiophen-2-yl)sulfonyl-[2-[4-[6-fluoro-7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]acetyl]azanide;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-fluoro-7-(methylamino)-1H-quinazoline-2,4-dione;ethyl 2-(5-chlorothiophen-2-yl)sulfonylacetate;hydrochloride (CID 157331292) is potassium;3-(4-aminophenyl)-6,7-difluoro-1H-quinazoline-2,4-dione;3-(4-aminophenyl)-6-fluoro-7-(methylamino)-1H-quinazoline-2,4-dione;(5-chlorothiophen-2-yl)sulfonyl-[2-[4-[6-fluoro-7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]acetyl]azanide;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-fluoro-7-(methylamino)-1H-quinazoline-2,4-dione;ethyl 2-(5-chlorothiophen-2-yl)sulfonylacetate;hydrochloride.

What is the SMILES notation for potassium;3-(4-aminophenyl)-6,7-difluoro-1H-quinazoline-2,4-dione;3-(4-aminophenyl)-6-fluoro-7-(methylamino)-1H-quinazoline-2,4-dione;(5-chlorothiophen-2-yl)sulfonyl-[2-[4-[6-fluoro-7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]acetyl]azanide;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-fluoro-7-(methylamino)-1H-quinazoline-2,4-dione;ethyl 2-(5-chlorothiophen-2-yl)sulfonylacetate;hydrochloride?

The canonical SMILES for potassium;3-(4-aminophenyl)-6,7-difluoro-1H-quinazoline-2,4-dione;3-(4-aminophenyl)-6-fluoro-7-(methylamino)-1H-quinazoline-2,4-dione;(5-chlorothiophen-2-yl)sulfonyl-[2-[4-[6-fluoro-7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]acetyl]azanide;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-fluoro-7-(methylamino)-1H-quinazoline-2,4-dione;ethyl 2-(5-chlorothiophen-2-yl)sulfonylacetate;hydrochloride is CCOC(=O)CS(=O)(=O)c1ccc(Cl)s1.CNc1cc2[nH]c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cc3)c(=O)c2cc1F.CNc1cc2[nH]c(=O)n(-c3ccc(CC(=O)[N-]S(=O)(=O)c4ccc(Cl)s4)cc3)c(=O)c2cc1F.CNc1cc2[nH]c(=O)n(-c3ccc(N)cc3)c(=O)c2cc1F.Cl.Nc1ccc(-n2c(=O)[nH]c3cc(F)c(F)cc3c2=O)cc1.[K+].

What is the InChIKey of potassium;3-(4-aminophenyl)-6,7-difluoro-1H-quinazoline-2,4-dione;3-(4-aminophenyl)-6-fluoro-7-(methylamino)-1H-quinazoline-2,4-dione;(5-chlorothiophen-2-yl)sulfonyl-[2-[4-[6-fluoro-7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]acetyl]azanide;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-fluoro-7-(methylamino)-1H-quinazoline-2,4-dione;ethyl 2-(5-chlorothiophen-2-yl)sulfonylacetate;hydrochloride?

The InChIKey is NTNPPEBVTDXFNB-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H17ClFN3O5S2.C21H16ClFN4O5S2.C15H13FN4O2.C14H9F2N3O2.C8H9ClO4S2.ClH.K/c1-25-18-10-17-15(9-16(18)24)21(29)27(22(30)26-17)13-4-2-12(3-5-13)8-14(28)11-34(31,32)20-7-6-19(23)33-20;1-24-16-10-15-13(9-14(16)23)20(29)27(21(30)25-15)12-4-2-11(3-5-12)8-18(28)26-34(31,32)19-7-6-17(22)33-19;1-18-13-7-12-10(6-11(13)16)14(21)20(15(22)19-12)9-4-2-8(17)3-5-9;15-10-5-9-12(6-11(10)16)18-14(21)19(13(9)20)8-3-1-7(17)2-4-8;1-2-13-7(10)5-15(11,12)8-4-3-6(9)14-8;;/h2-7,9-10,25H,8,11H2,1H3,(H,26,30);2-7,9-10H,8H2,1H3,(H3,24,25,26,28,29,30);2-7,18H,17H2,1H3,(H,19,22);1-6H,17H2,(H,18,21);3-4H,2,5H2,1H3;1H;/q;;;;;;+1/p-1.

What are the key properties of potassium;3-(4-aminophenyl)-6,7-difluoro-1H-quinazoline-2,4-dione;3-(4-aminophenyl)-6-fluoro-7-(methylamino)-1H-quinazoline-2,4-dione;(5-chlorothiophen-2-yl)sulfonyl-[2-[4-[6-fluoro-7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]acetyl]azanide;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-fluoro-7-(methylamino)-1H-quinazoline-2,4-dione;ethyl 2-(5-chlorothiophen-2-yl)sulfonylacetate;hydrochloride?

potassium;3-(4-aminophenyl)-6,7-difluoro-1H-quinazoline-2,4-dione;3-(4-aminophenyl)-6-fluoro-7-(methylamino)-1H-quinazoline-2,4-dione;(5-chlorothiophen-2-yl)sulfonyl-[2-[4-[6-fluoro-7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]acetyl]azanide;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-fluoro-7-(methylamino)-1H-quinazoline-2,4-dione;ethyl 2-(5-chlorothiophen-2-yl)sulfonylacetate;hydrochloride has a molecular weight of 1977.77 g/mol, XLogP of 8.71, 20 rotatable bonds, 9 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;3-(4-aminophenyl)-6,7-difluoro-1H-quinazoline-2,4-dione;3-(4-aminophenyl)-6-fluoro-7-(methylamino)-1H-quinazoline-2,4-dione;(5-chlorothiophen-2-yl)sulfonyl-[2-[4-[6-fluoro-7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]acetyl]azanide;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-fluoro-7-(methylamino)-1H-quinazoline-2,4-dione;ethyl 2-(5-chlorothiophen-2-yl)sulfonylacetate;hydrochloride is sourced from PubChem (CID 157331292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).