3-[2-chloro-6-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2,6-difluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;7-methyl-3-[2-methyl-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-1H-quinazoline-2,4-dione;7-methyl-3-[4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)-2-(trifluoromethyl)phenyl]-1H-quinazoline-2,4-dione

C112H86ClF7N10O25S10 — CID 160829515

IUPAC3-[2-chloro-6-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2,6-difluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;7-methyl-3-[2-methyl-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-1H-quinazoline-2,4-dione;7-methyl-3-[4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)-2-(trifluoromethyl)phenyl]-1H-quinazoline-2,4-dione
SMILESCc1ccc2c(=O)n(-c3c(F)cc(CC(=O)CS(=O)(=O)c4cccs4)cc3Cl)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3c(F)cc(CC(=O)CS(=O)(=O)c4cccs4)cc3F)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4cccs4)cc3C(F)(F)F)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4cccs4)cc3C)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4cccs4)cc3F)c(=O)[nH]c2c1
InChIInChI=1S/C23H17F3N2O5S2.C23H20N2O5S2.C22H16ClFN2O5S2.C22H16F2N2O5S2.C22H17FN2O5S2/c1-13-4-6-16-18(9-13)27-22(31)28(21(16)30)19-7-5-14(11-17(19)23(24,25)26)10-15(29)12-35(32,33)20-3-2-8-34-20;1-14-5-7-18-19(10-14)24-23(28)25(22(18)27)20-8-6-16(11-15(20)2)12-17(26)13-32(29,30)21-4-3-9-31-21;2*1-12-4-5-15-18(7-12)25-22(29)26(21(15)28)20-16(23)9-13(10-17(20)24)8-14(27)11-33(30,31)19-3-2-6-32-19;1-13-4-6-16-18(9-13)24-22(28)25(21(16)27)19-7-5-14(11-17(19)23)10-15(26)12-32(29,30)20-3-2-8-31-20/h2-9,11H,10,12H2,1H3,(H,27,31);3-11H,12-13H2,1-2H3,(H,24,28);2*2-7,9-10H,8,11H2,1H3,(H,25,29);2-9,11H,10,12H2,1H3,(H,24,28)
InChIKeySGPPCPLBKPDXOG-UHFFFAOYSA-N
MW2461.07 g/mol
LogP15.71
Rot. Bonds30

About 3-[2-chloro-6-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2,6-difluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;7-methyl-3-[2-methyl-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-1H-quinazoline-2,4-dione;7-methyl-3-[4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)-2-(trifluoromethyl)phenyl]-1H-quinazoline-2,4-dione

3-[2-chloro-6-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2,6-difluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;7-methyl-3-[2-methyl-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-1H-quinazoline-2,4-dione;7-methyl-3-[4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)-2-(trifluoromethyl)phenyl]-1H-quinazoline-2,4-dione (PubChem CID 160829515) has the molecular formula C112H86ClF7N10O25S10 and a molecular weight of 2461.07 g/mol. Its IUPAC name is 3-[2-chloro-6-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2,6-difluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;7-methyl-3-[2-methyl-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-1H-quinazoline-2,4-dione;7-methyl-3-[4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)-2-(trifluoromethyl)phenyl]-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-[2-chloro-6-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2,6-difluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;7-methyl-3-[2-methyl-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-1H-quinazoline-2,4-dione;7-methyl-3-[4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)-2-(trifluoromethyl)phenyl]-1H-quinazoline-2,4-dione
PubChem CID160829515
Molecular FormulaC112H86ClF7N10O25S10
Molecular Weight2461.07 g/mol
Exact Mass2458.25
IUPAC Name3-[2-chloro-6-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2,6-difluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;7-methyl-3-[2-methyl-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-1H-quinazoline-2,4-dione;7-methyl-3-[4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)-2-(trifluoromethyl)phenyl]-1H-quinazoline-2,4-dione
SMILESCc1ccc2c(=O)n(-c3c(F)cc(CC(=O)CS(=O)(=O)c4cccs4)cc3Cl)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3c(F)cc(CC(=O)CS(=O)(=O)c4cccs4)cc3F)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4cccs4)cc3C(F)(F)F)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4cccs4)cc3C)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4cccs4)cc3F)c(=O)[nH]c2c1
InChIInChI=1S/C23H17F3N2O5S2.C23H20N2O5S2.C22H16ClFN2O5S2.C22H16F2N2O5S2.C22H17FN2O5S2/c1-13-4-6-16-18(9-13)27-22(31)28(21(16)30)19-7-5-14(11-17(19)23(24,25)26)10-15(29)12-35(32,33)20-3-2-8-34-20;1-14-5-7-18-19(10-14)24-23(28)25(22(18)27)20-8-6-16(11-15(20)2)12-17(26)13-32(29,30)21-4-3-9-31-21;2*1-12-4-5-15-18(7-12)25-22(29)26(21(15)28)20-16(23)9-13(10-17(20)24)8-14(27)11-33(30,31)19-3-2-6-32-19;1-13-4-6-16-18(9-13)24-22(28)25(21(16)27)19-7-5-14(11-17(19)23)10-15(26)12-32(29,30)20-3-2-8-31-20/h2-9,11H,10,12H2,1H3,(H,27,31);3-11H,12-13H2,1-2H3,(H,24,28);2*2-7,9-10H,8,11H2,1H3,(H,25,29);2-9,11H,10,12H2,1H3,(H,24,28)
InChIKeySGPPCPLBKPDXOG-UHFFFAOYSA-N
XLogP15.71
TPSA530.35 Ų
H-Bond Donors5
H-Bond Acceptors35
Rotatable Bonds30
Heavy Atoms165
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002461.07
LogP ≤ 515.71
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1035

Analyze 3-[2-chloro-6-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2,6-difluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;7-methyl-3-[2-methyl-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-1H-quinazoline-2,4-dione;7-methyl-3-[4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)-2-(trifluoromethyl)phenyl]-1H-quinazoline-2,4-dione with MolForge

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Related Compounds

1-[3-chloro-5-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-[(5-chlorothiophen-2-yl)methyl]urea;1-[(5-chlorothiophen-2-yl)methyl]-3-[3,5-difluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea;1-[(5-chlorothiophen-2-yl)methyl]-3-[3-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea;1-[(5-chlorothiophen-2-yl)methyl]-3-[3-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-5-(trifluoromethyl)phenyl]urea;1-[(5-chlorothiophen-2-yl)methyl]-3-[4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-(trifluoromethyl)phenyl]urea;1-[(5-chlorothiophen-2-yl)methyl]-3-[3-methyl-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea
CID 157144686
1-[3-chloro-5-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-thiophen-2-ylsulfonylurea;1-[3,5-difluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-thiophen-2-ylsulfonylurea;1-[3-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-thiophen-2-ylsulfonylurea;1-[3-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-5-(trifluoromethyl)phenyl]-3-thiophen-2-ylsulfonylurea;1-[4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-(trifluoromethyl)phenyl]-3-thiophen-2-ylsulfonylurea;1-[3-methyl-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-thiophen-2-ylsulfonylurea
CID 157626368
3-[2-Chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-6-fluorophenyl]-7-methylquinazolin-4-one;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2,6-difluorophenyl]-7-methylquinazolin-4-one;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-7-methylquinazolin-4-one;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-methylphenyl]-7-methylquinazolin-4-one;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-(trifluoromethyl)phenyl]-7-methylquinazolin-4-one
CID 157810358
3-[2-chloro-4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-6-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2,6-difluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2-methylphenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione
CID 158027029
3-[2-chloro-4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-6-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2,6-difluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-methylphenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione
CID 158383458
3-[2-Chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-6-fluorophenyl]-7-methylquinazolin-4-one;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2,6-difluorophenyl]-7-methylquinazolin-4-one;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-7-methylquinazolin-4-one;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluoro-6-(trifluoromethyl)phenyl]-7-methylquinazolin-4-one;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-methylphenyl]-7-methylquinazolin-4-one;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-(trifluoromethyl)phenyl]-7-methylquinazolin-4-one
CID 159763165
3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-6-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2,6-difluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-methylphenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione
CID 160332116
3-[2-chloro-4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-2,6-difluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-2-methylphenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-2-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;N-(5-chlorothiophen-2-yl)sulfonyl-3-fluoro-4-(7-methyl-2,4-dioxo-1H-quinazolin-3-yl)benzamide
CID 160701536
1-[3-chloro-5-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-(4,5-dichlorothiophen-2-yl)sulfonylurea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[3,5-difluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-5-(trifluoromethyl)phenyl]urea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-(trifluoromethyl)phenyl]urea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[3-methyl-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea
CID 161159840
3-[2-chloro-4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-6-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2,6-difluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-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-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-methylphenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione
CID 161673031
3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(cyclopropylamino)-1H-quinazoline-2,4-dione;bis(3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methyl-1H-quinazoline-2,4-dione);bis(3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-methyl-1H-quinazoline-2,4-dione);sulfur dioxide
CID 157105808
3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-1H-quinazoline-2,4-dione;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(3-morpholin-4-ylpropylamino)-1H-quinazoline-2,4-dione;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(3-piperidin-1-ylpropylamino)-1H-quinazoline-2,4-dione;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(3-pyrrolidin-1-ylpropylamino)-1H-quinazoline-2,4-dione
CID 157416667

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-6-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2,6-difluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;7-methyl-3-[2-methyl-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-1H-quinazoline-2,4-dione;7-methyl-3-[4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)-2-(trifluoromethyl)phenyl]-1H-quinazoline-2,4-dione?
The IUPAC name of 3-[2-chloro-6-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2,6-difluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;7-methyl-3-[2-methyl-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-1H-quinazoline-2,4-dione;7-methyl-3-[4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)-2-(trifluoromethyl)phenyl]-1H-quinazoline-2,4-dione (CID 160829515) is 3-[2-chloro-6-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2,6-difluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;7-methyl-3-[2-methyl-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-1H-quinazoline-2,4-dione;7-methyl-3-[4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)-2-(trifluoromethyl)phenyl]-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-[2-chloro-6-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2,6-difluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;7-methyl-3-[2-methyl-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-1H-quinazoline-2,4-dione;7-methyl-3-[4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)-2-(trifluoromethyl)phenyl]-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-[2-chloro-6-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2,6-difluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;7-methyl-3-[2-methyl-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-1H-quinazoline-2,4-dione;7-methyl-3-[4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)-2-(trifluoromethyl)phenyl]-1H-quinazoline-2,4-dione is Cc1ccc2c(=O)n(-c3c(F)cc(CC(=O)CS(=O)(=O)c4cccs4)cc3Cl)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3c(F)cc(CC(=O)CS(=O)(=O)c4cccs4)cc3F)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4cccs4)cc3C(F)(F)F)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4cccs4)cc3C)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4cccs4)cc3F)c(=O)[nH]c2c1.
What is the InChIKey of 3-[2-chloro-6-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2,6-difluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;7-methyl-3-[2-methyl-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-1H-quinazoline-2,4-dione;7-methyl-3-[4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)-2-(trifluoromethyl)phenyl]-1H-quinazoline-2,4-dione?
The InChIKey is SGPPCPLBKPDXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N2O5S2.C23H20N2O5S2.C22H16ClFN2O5S2.C22H16F2N2O5S2.C22H17FN2O5S2/c1-13-4-6-16-18(9-13)27-22(31)28(21(16)30)19-7-5-14(11-17(19)23(24,25)26)10-15(29)12-35(32,33)20-3-2-8-34-20;1-14-5-7-18-19(10-14)24-23(28)25(22(18)27)20-8-6-16(11-15(20)2)12-17(26)13-32(29,30)21-4-3-9-31-21;2*1-12-4-5-15-18(7-12)25-22(29)26(21(15)28)20-16(23)9-13(10-17(20)24)8-14(27)11-33(30,31)19-3-2-6-32-19;1-13-4-6-16-18(9-13)24-22(28)25(21(16)27)19-7-5-14(11-17(19)23)10-15(26)12-32(29,30)20-3-2-8-31-20/h2-9,11H,10,12H2,1H3,(H,27,31);3-11H,12-13H2,1-2H3,(H,24,28);2*2-7,9-10H,8,11H2,1H3,(H,25,29);2-9,11H,10,12H2,1H3,(H,24,28).
What are the key properties of 3-[2-chloro-6-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2,6-difluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;7-methyl-3-[2-methyl-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-1H-quinazoline-2,4-dione;7-methyl-3-[4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)-2-(trifluoromethyl)phenyl]-1H-quinazoline-2,4-dione?
3-[2-chloro-6-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2,6-difluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;7-methyl-3-[2-methyl-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-1H-quinazoline-2,4-dione;7-methyl-3-[4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)-2-(trifluoromethyl)phenyl]-1H-quinazoline-2,4-dione has a molecular weight of 2461.07 g/mol, XLogP of 15.71, 30 rotatable bonds, 5 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-6-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2,6-difluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;7-methyl-3-[2-methyl-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-1H-quinazoline-2,4-dione;7-methyl-3-[4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)-2-(trifluoromethyl)phenyl]-1H-quinazoline-2,4-dione is sourced from PubChem (CID 160829515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).