(5E)-5-[[4-[2-[2-(4-bromophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]methylidene]-2-methylidene-1,3-thiazolidin-4-one;(5Z)-5-[1-[3-[2-[6-fluoro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyethoxy]phenyl]ethylidene]-4-methylidene-1,3-thiazolidin-2-one;(5Z)-5-[1-[4-[2-[6-fluoro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyethoxy]phenyl]ethylidene]thiolane-2,4-dione;(5Z)-5-[1-[4-[2-[6-fluoro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyethylamino]phenyl]ethylidene]thiolane-2,4-dione;(5E)-5-[1-[3-[2-[2-(4-fluoro-2-methylphenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[4-[2-[2-(5-fluoro-2-methylphenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one

C181H148BrF5N8O31S6 — CID 160730021

IUPAC(5E)-5-[[4-[2-[2-(4-bromophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]methylidene]-2-methylidene-1,3-thiazolidin-4-one;(5Z)-5-[1-[3-[2-[6-fluoro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyethoxy]phenyl]ethylidene]-4-methylidene-1,3-thiazolidin-2-one;(5Z)-5-[1-[4-[2-[6-fluoro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyethoxy]phenyl]ethylidene]thiolane-2,4-dione;(5Z)-5-[1-[4-[2-[6-fluoro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyethylamino]phenyl]ethylidene]thiolane-2,4-dione;(5E)-5-[1-[3-[2-[2-(4-fluoro-2-methylphenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[4-[2-[2-(5-fluoro-2-methylphenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one
SMILESC=c1[nH]c(=O)/c(=C(/C)c2ccc(OCCOc3c(-c4cc(F)ccc4C)n(C)c4ccccc4c3=O)cc2)s1.C=c1[nH]c(=O)/c(=C(/C)c2cccc(OCCOc3c(-c4ccc(F)cc4C)n(C)c4ccccc4c3=O)c2)s1.C=c1[nH]c(=O)/c(=C\c2ccc(OCCOc3c(-c4ccc(Br)cc4)n(C)c4ccccc4c3=O)cc2)s1.C=c1[nH]c(=O)s/c1=C(/C)c1cccc(OCCOc2c(-c3ccc(OC)cc3)oc3ccc(F)cc3c2=O)c1.COc1ccc(-c2oc3ccc(F)cc3c(=O)c2OCCNc2ccc(/C(C)=C3\SC(=O)CC3=O)cc2)cc1.COc1ccc(-c2oc3ccc(F)cc3c(=O)c2OCCOc2ccc(/C(C)=C3\SC(=O)CC3=O)cc2)cc1
InChIInChI=1S/2C31H27FN2O4S.2C30H24FNO6S.C30H23FO7S.C29H23BrN2O4S/c1-18-16-22(32)12-13-24(18)27-29(28(35)25-10-5-6-11-26(25)34(27)4)38-15-14-37-23-9-7-8-21(17-23)19(2)30-31(36)33-20(3)39-30;1-18-9-12-22(32)17-25(18)27-29(28(35)24-7-5-6-8-26(24)34(27)4)38-16-15-37-23-13-10-21(11-14-23)19(2)30-31(36)33-20(3)39-30;1-17(30-24(33)16-26(34)39-30)18-3-8-21(9-4-18)32-13-14-37-29-27(35)23-15-20(31)7-12-25(23)38-28(29)19-5-10-22(36-2)11-6-19;1-17(29-18(2)32-30(34)39-29)20-5-4-6-23(15-20)36-13-14-37-28-26(33)24-16-21(31)9-12-25(24)38-27(28)19-7-10-22(35-3)11-8-19;1-17(30-24(32)16-26(33)39-30)18-3-10-22(11-4-18)36-13-14-37-29-27(34)23-15-20(31)7-12-25(23)38-28(29)19-5-8-21(35-2)9-6-19;1-18-31-29(34)25(37-18)17-19-7-13-22(14-8-19)35-15-16-36-28-26(20-9-11-21(30)12-10-20)32(2)24-6-4-3-5-23(24)27(28)33/h5-13,16-17H,3,14-15H2,1-2,4H3,(H,33,36);5-14,17H,3,15-16H2,1-2,4H3,(H,33,36);3-12,15,32H,13-14,16H2,1-2H3;4-12,15-16H,2,13-14H2,1,3H3,(H,32,34);3-12,15H,13-14,16H2,1-2H3;3-14,17H,1,15-16H2,2H3,(H,31,34)/b2*30-19+;30-17-;29-17-;30-17-;25-17+
InChIKeyRUFDPTFFVXWEGY-JCBIBHKQSA-N
MW3298.50 g/mol
LogP29.93
Rot. Bonds45

About (5E)-5-[[4-[2-[2-(4-bromophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]methylidene]-2-methylidene-1,3-thiazolidin-4-one;(5Z)-5-[1-[3-[2-[6-fluoro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyethoxy]phenyl]ethylidene]-4-methylidene-1,3-thiazolidin-2-one;(5Z)-5-[1-[4-[2-[6-fluoro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyethoxy]phenyl]ethylidene]thiolane-2,4-dione;(5Z)-5-[1-[4-[2-[6-fluoro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyethylamino]phenyl]ethylidene]thiolane-2,4-dione;(5E)-5-[1-[3-[2-[2-(4-fluoro-2-methylphenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[4-[2-[2-(5-fluoro-2-methylphenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one

(5E)-5-[[4-[2-[2-(4-bromophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]methylidene]-2-methylidene-1,3-thiazolidin-4-one;(5Z)-5-[1-[3-[2-[6-fluoro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyethoxy]phenyl]ethylidene]-4-methylidene-1,3-thiazolidin-2-one;(5Z)-5-[1-[4-[2-[6-fluoro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyethoxy]phenyl]ethylidene]thiolane-2,4-dione;(5Z)-5-[1-[4-[2-[6-fluoro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyethylamino]phenyl]ethylidene]thiolane-2,4-dione;(5E)-5-[1-[3-[2-[2-(4-fluoro-2-methylphenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[4-[2-[2-(5-fluoro-2-methylphenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one (PubChem CID 160730021) has the molecular formula C181H148BrF5N8O31S6 and a molecular weight of 3298.50 g/mol. Its IUPAC name is (5E)-5-[[4-[2-[2-(4-bromophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]methylidene]-2-methylidene-1,3-thiazolidin-4-one;(5Z)-5-[1-[3-[2-[6-fluoro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyethoxy]phenyl]ethylidene]-4-methylidene-1,3-thiazolidin-2-one;(5Z)-5-[1-[4-[2-[6-fluoro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyethoxy]phenyl]ethylidene]thiolane-2,4-dione;(5Z)-5-[1-[4-[2-[6-fluoro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyethylamino]phenyl]ethylidene]thiolane-2,4-dione;(5E)-5-[1-[3-[2-[2-(4-fluoro-2-methylphenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[4-[2-[2-(5-fluoro-2-methylphenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-[[4-[2-[2-(4-bromophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]methylidene]-2-methylidene-1,3-thiazolidin-4-one;(5Z)-5-[1-[3-[2-[6-fluoro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyethoxy]phenyl]ethylidene]-4-methylidene-1,3-thiazolidin-2-one;(5Z)-5-[1-[4-[2-[6-fluoro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyethoxy]phenyl]ethylidene]thiolane-2,4-dione;(5Z)-5-[1-[4-[2-[6-fluoro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyethylamino]phenyl]ethylidene]thiolane-2,4-dione;(5E)-5-[1-[3-[2-[2-(4-fluoro-2-methylphenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[4-[2-[2-(5-fluoro-2-methylphenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one
PubChem CID160730021
Molecular FormulaC181H148BrF5N8O31S6
Molecular Weight3298.50 g/mol
Exact Mass3294.77
IUPAC Name(5E)-5-[[4-[2-[2-(4-bromophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]methylidene]-2-methylidene-1,3-thiazolidin-4-one;(5Z)-5-[1-[3-[2-[6-fluoro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyethoxy]phenyl]ethylidene]-4-methylidene-1,3-thiazolidin-2-one;(5Z)-5-[1-[4-[2-[6-fluoro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyethoxy]phenyl]ethylidene]thiolane-2,4-dione;(5Z)-5-[1-[4-[2-[6-fluoro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyethylamino]phenyl]ethylidene]thiolane-2,4-dione;(5E)-5-[1-[3-[2-[2-(4-fluoro-2-methylphenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[4-[2-[2-(5-fluoro-2-methylphenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one
SMILESC=c1[nH]c(=O)/c(=C(/C)c2ccc(OCCOc3c(-c4cc(F)ccc4C)n(C)c4ccccc4c3=O)cc2)s1.C=c1[nH]c(=O)/c(=C(/C)c2cccc(OCCOc3c(-c4ccc(F)cc4C)n(C)c4ccccc4c3=O)c2)s1.C=c1[nH]c(=O)/c(=C\c2ccc(OCCOc3c(-c4ccc(Br)cc4)n(C)c4ccccc4c3=O)cc2)s1.C=c1[nH]c(=O)s/c1=C(/C)c1cccc(OCCOc2c(-c3ccc(OC)cc3)oc3ccc(F)cc3c2=O)c1.COc1ccc(-c2oc3ccc(F)cc3c(=O)c2OCCNc2ccc(/C(C)=C3\SC(=O)CC3=O)cc2)cc1.COc1ccc(-c2oc3ccc(F)cc3c(=O)c2OCCOc2ccc(/C(C)=C3\SC(=O)CC3=O)cc2)cc1
InChIInChI=1S/2C31H27FN2O4S.2C30H24FNO6S.C30H23FO7S.C29H23BrN2O4S/c1-18-16-22(32)12-13-24(18)27-29(28(35)25-10-5-6-11-26(25)34(27)4)38-15-14-37-23-9-7-8-21(17-23)19(2)30-31(36)33-20(3)39-30;1-18-9-12-22(32)17-25(18)27-29(28(35)24-7-5-6-8-26(24)34(27)4)38-16-15-37-23-13-10-21(11-14-23)19(2)30-31(36)33-20(3)39-30;1-17(30-24(33)16-26(34)39-30)18-3-8-21(9-4-18)32-13-14-37-29-27(35)23-15-20(31)7-12-25(23)38-28(29)19-5-10-22(36-2)11-6-19;1-17(29-18(2)32-30(34)39-29)20-5-4-6-23(15-20)36-13-14-37-28-26(33)24-16-21(31)9-12-25(24)38-27(28)19-7-10-22(35-3)11-8-19;1-17(30-24(32)16-26(33)39-30)18-3-10-22(11-4-18)36-13-14-37-29-27(34)23-15-20(31)7-12-25(23)38-28(29)19-5-8-21(35-2)9-6-19;1-18-31-29(34)25(37-18)17-19-7-13-22(14-8-19)35-15-16-36-28-26(20-9-11-21(30)12-10-20)32(2)24-6-4-3-5-23(24)27(28)33/h5-13,16-17H,3,14-15H2,1-2,4H3,(H,33,36);5-14,17H,3,15-16H2,1-2,4H3,(H,33,36);3-12,15,32H,13-14,16H2,1-2H3;4-12,15-16H,2,13-14H2,1,3H3,(H,32,34);3-12,15H,13-14,16H2,1-2H3;3-14,17H,1,15-16H2,2H3,(H,31,34)/b2*30-19+;30-17-;29-17-;30-17-;25-17+
InChIKeyRUFDPTFFVXWEGY-JCBIBHKQSA-N
XLogP29.93
TPSA497.60 Ų
H-Bond Donors5
H-Bond Acceptors41
Rotatable Bonds45
Heavy Atoms232
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003298.50
LogP ≤ 529.93
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze (5E)-5-[[4-[2-[2-(4-bromophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]methylidene]-2-methylidene-1,3-thiazolidin-4-one;(5Z)-5-[1-[3-[2-[6-fluoro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyethoxy]phenyl]ethylidene]-4-methylidene-1,3-thiazolidin-2-one;(5Z)-5-[1-[4-[2-[6-fluoro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyethoxy]phenyl]ethylidene]thiolane-2,4-dione;(5Z)-5-[1-[4-[2-[6-fluoro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyethylamino]phenyl]ethylidene]thiolane-2,4-dione;(5E)-5-[1-[3-[2-[2-(4-fluoro-2-methylphenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[4-[2-[2-(5-fluoro-2-methylphenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[4-[2-[2-(4-bromophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]methylidene]-2-methylidene-1,3-thiazolidin-4-one;(5Z)-5-[1-[3-[2-[6-fluoro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyethoxy]phenyl]ethylidene]-4-methylidene-1,3-thiazolidin-2-one;(5Z)-5-[1-[4-[2-[6-fluoro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyethoxy]phenyl]ethylidene]thiolane-2,4-dione;(5Z)-5-[1-[4-[2-[6-fluoro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyethylamino]phenyl]ethylidene]thiolane-2,4-dione;(5E)-5-[1-[3-[2-[2-(4-fluoro-2-methylphenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[4-[2-[2-(5-fluoro-2-methylphenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-5-[[4-[2-[2-(4-bromophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]methylidene]-2-methylidene-1,3-thiazolidin-4-one;(5Z)-5-[1-[3-[2-[6-fluoro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyethoxy]phenyl]ethylidene]-4-methylidene-1,3-thiazolidin-2-one;(5Z)-5-[1-[4-[2-[6-fluoro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyethoxy]phenyl]ethylidene]thiolane-2,4-dione;(5Z)-5-[1-[4-[2-[6-fluoro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyethylamino]phenyl]ethylidene]thiolane-2,4-dione;(5E)-5-[1-[3-[2-[2-(4-fluoro-2-methylphenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[4-[2-[2-(5-fluoro-2-methylphenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one (CID 160730021) is (5E)-5-[[4-[2-[2-(4-bromophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]methylidene]-2-methylidene-1,3-thiazolidin-4-one;(5Z)-5-[1-[3-[2-[6-fluoro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyethoxy]phenyl]ethylidene]-4-methylidene-1,3-thiazolidin-2-one;(5Z)-5-[1-[4-[2-[6-fluoro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyethoxy]phenyl]ethylidene]thiolane-2,4-dione;(5Z)-5-[1-[4-[2-[6-fluoro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyethylamino]phenyl]ethylidene]thiolane-2,4-dione;(5E)-5-[1-[3-[2-[2-(4-fluoro-2-methylphenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[4-[2-[2-(5-fluoro-2-methylphenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-5-[[4-[2-[2-(4-bromophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]methylidene]-2-methylidene-1,3-thiazolidin-4-one;(5Z)-5-[1-[3-[2-[6-fluoro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyethoxy]phenyl]ethylidene]-4-methylidene-1,3-thiazolidin-2-one;(5Z)-5-[1-[4-[2-[6-fluoro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyethoxy]phenyl]ethylidene]thiolane-2,4-dione;(5Z)-5-[1-[4-[2-[6-fluoro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyethylamino]phenyl]ethylidene]thiolane-2,4-dione;(5E)-5-[1-[3-[2-[2-(4-fluoro-2-methylphenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[4-[2-[2-(5-fluoro-2-methylphenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-5-[[4-[2-[2-(4-bromophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]methylidene]-2-methylidene-1,3-thiazolidin-4-one;(5Z)-5-[1-[3-[2-[6-fluoro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyethoxy]phenyl]ethylidene]-4-methylidene-1,3-thiazolidin-2-one;(5Z)-5-[1-[4-[2-[6-fluoro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyethoxy]phenyl]ethylidene]thiolane-2,4-dione;(5Z)-5-[1-[4-[2-[6-fluoro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyethylamino]phenyl]ethylidene]thiolane-2,4-dione;(5E)-5-[1-[3-[2-[2-(4-fluoro-2-methylphenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[4-[2-[2-(5-fluoro-2-methylphenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one is C=c1[nH]c(=O)/c(=C(/C)c2ccc(OCCOc3c(-c4cc(F)ccc4C)n(C)c4ccccc4c3=O)cc2)s1.C=c1[nH]c(=O)/c(=C(/C)c2cccc(OCCOc3c(-c4ccc(F)cc4C)n(C)c4ccccc4c3=O)c2)s1.C=c1[nH]c(=O)/c(=C\c2ccc(OCCOc3c(-c4ccc(Br)cc4)n(C)c4ccccc4c3=O)cc2)s1.C=c1[nH]c(=O)s/c1=C(/C)c1cccc(OCCOc2c(-c3ccc(OC)cc3)oc3ccc(F)cc3c2=O)c1.COc1ccc(-c2oc3ccc(F)cc3c(=O)c2OCCNc2ccc(/C(C)=C3\SC(=O)CC3=O)cc2)cc1.COc1ccc(-c2oc3ccc(F)cc3c(=O)c2OCCOc2ccc(/C(C)=C3\SC(=O)CC3=O)cc2)cc1.
What is the InChIKey of (5E)-5-[[4-[2-[2-(4-bromophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]methylidene]-2-methylidene-1,3-thiazolidin-4-one;(5Z)-5-[1-[3-[2-[6-fluoro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyethoxy]phenyl]ethylidene]-4-methylidene-1,3-thiazolidin-2-one;(5Z)-5-[1-[4-[2-[6-fluoro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyethoxy]phenyl]ethylidene]thiolane-2,4-dione;(5Z)-5-[1-[4-[2-[6-fluoro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyethylamino]phenyl]ethylidene]thiolane-2,4-dione;(5E)-5-[1-[3-[2-[2-(4-fluoro-2-methylphenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[4-[2-[2-(5-fluoro-2-methylphenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one?
The InChIKey is RUFDPTFFVXWEGY-JCBIBHKQSA-N. The full InChI is InChI=1S/2C31H27FN2O4S.2C30H24FNO6S.C30H23FO7S.C29H23BrN2O4S/c1-18-16-22(32)12-13-24(18)27-29(28(35)25-10-5-6-11-26(25)34(27)4)38-15-14-37-23-9-7-8-21(17-23)19(2)30-31(36)33-20(3)39-30;1-18-9-12-22(32)17-25(18)27-29(28(35)24-7-5-6-8-26(24)34(27)4)38-16-15-37-23-13-10-21(11-14-23)19(2)30-31(36)33-20(3)39-30;1-17(30-24(33)16-26(34)39-30)18-3-8-21(9-4-18)32-13-14-37-29-27(35)23-15-20(31)7-12-25(23)38-28(29)19-5-10-22(36-2)11-6-19;1-17(29-18(2)32-30(34)39-29)20-5-4-6-23(15-20)36-13-14-37-28-26(33)24-16-21(31)9-12-25(24)38-27(28)19-7-10-22(35-3)11-8-19;1-17(30-24(32)16-26(33)39-30)18-3-10-22(11-4-18)36-13-14-37-29-27(34)23-15-20(31)7-12-25(23)38-28(29)19-5-8-21(35-2)9-6-19;1-18-31-29(34)25(37-18)17-19-7-13-22(14-8-19)35-15-16-36-28-26(20-9-11-21(30)12-10-20)32(2)24-6-4-3-5-23(24)27(28)33/h5-13,16-17H,3,14-15H2,1-2,4H3,(H,33,36);5-14,17H,3,15-16H2,1-2,4H3,(H,33,36);3-12,15,32H,13-14,16H2,1-2H3;4-12,15-16H,2,13-14H2,1,3H3,(H,32,34);3-12,15H,13-14,16H2,1-2H3;3-14,17H,1,15-16H2,2H3,(H,31,34)/b2*30-19+;30-17-;29-17-;30-17-;25-17+.
What are the key properties of (5E)-5-[[4-[2-[2-(4-bromophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]methylidene]-2-methylidene-1,3-thiazolidin-4-one;(5Z)-5-[1-[3-[2-[6-fluoro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyethoxy]phenyl]ethylidene]-4-methylidene-1,3-thiazolidin-2-one;(5Z)-5-[1-[4-[2-[6-fluoro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyethoxy]phenyl]ethylidene]thiolane-2,4-dione;(5Z)-5-[1-[4-[2-[6-fluoro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyethylamino]phenyl]ethylidene]thiolane-2,4-dione;(5E)-5-[1-[3-[2-[2-(4-fluoro-2-methylphenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[4-[2-[2-(5-fluoro-2-methylphenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one?
(5E)-5-[[4-[2-[2-(4-bromophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]methylidene]-2-methylidene-1,3-thiazolidin-4-one;(5Z)-5-[1-[3-[2-[6-fluoro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyethoxy]phenyl]ethylidene]-4-methylidene-1,3-thiazolidin-2-one;(5Z)-5-[1-[4-[2-[6-fluoro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyethoxy]phenyl]ethylidene]thiolane-2,4-dione;(5Z)-5-[1-[4-[2-[6-fluoro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyethylamino]phenyl]ethylidene]thiolane-2,4-dione;(5E)-5-[1-[3-[2-[2-(4-fluoro-2-methylphenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[4-[2-[2-(5-fluoro-2-methylphenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one has a molecular weight of 3298.50 g/mol, XLogP of 29.93, 45 rotatable bonds, 5 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[4-[2-[2-(4-bromophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]methylidene]-2-methylidene-1,3-thiazolidin-4-one;(5Z)-5-[1-[3-[2-[6-fluoro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyethoxy]phenyl]ethylidene]-4-methylidene-1,3-thiazolidin-2-one;(5Z)-5-[1-[4-[2-[6-fluoro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyethoxy]phenyl]ethylidene]thiolane-2,4-dione;(5Z)-5-[1-[4-[2-[6-fluoro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyethylamino]phenyl]ethylidene]thiolane-2,4-dione;(5E)-5-[1-[3-[2-[2-(4-fluoro-2-methylphenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[4-[2-[2-(5-fluoro-2-methylphenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 160730021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).