(5E)-5-[1-[3-chloro-4-[2-[2-(2-fluorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[4-[2-[2-(4-chlorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[3-[2-[2-(3,4-difluorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[3-fluoro-4-[2-[2-(4-fluorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[4-[2-[2-(4-fluorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-2-methylidene-5-[1-[3-[2-[1-methyl-2-(4-methylcyclohexyl)-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-1,3-thiazolidin-4-one

C181H156Cl2F6N12O24S6 — CID 158390896

IUPAC(5E)-5-[1-[3-chloro-4-[2-[2-(2-fluorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[4-[2-[2-(4-chlorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[3-[2-[2-(3,4-difluorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[3-fluoro-4-[2-[2-(4-fluorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[4-[2-[2-(4-fluorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-2-methylidene-5-[1-[3-[2-[1-methyl-2-(4-methylcyclohexyl)-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-1,3-thiazolidin-4-one
SMILESC=c1[nH]c(=O)/c(=C(/C)c2ccc(OCCOc3c(-c4ccc(Cl)cc4)n(C)c4ccccc4c3=O)cc2)s1.C=c1[nH]c(=O)/c(=C(/C)c2ccc(OCCOc3c(-c4ccc(F)cc4)n(C)c4ccccc4c3=O)c(F)c2)s1.C=c1[nH]c(=O)/c(=C(/C)c2ccc(OCCOc3c(-c4ccc(F)cc4)n(C)c4ccccc4c3=O)cc2)s1.C=c1[nH]c(=O)/c(=C(/C)c2ccc(OCCOc3c(-c4ccccc4F)n(C)c4ccccc4c3=O)c(Cl)c2)s1.C=c1[nH]c(=O)/c(=C(/C)c2cccc(OCCOc3c(-c4ccc(F)c(F)c4)n(C)c4ccccc4c3=O)c2)s1.C=c1[nH]c(=O)/c(=C(/C)c2cccc(OCCOc3c(C4CCC(C)CC4)n(C)c4ccccc4c3=O)c2)s1
InChIInChI=1S/C31H34N2O4S.C30H24ClFN2O4S.C30H25ClN2O4S.2C30H24F2N2O4S.C30H25FN2O4S/c1-19-12-14-22(15-13-19)27-29(28(34)25-10-5-6-11-26(25)33(27)4)37-17-16-36-24-9-7-8-23(18-24)20(2)30-31(35)32-21(3)38-30;1-17(29-30(36)33-18(2)39-29)19-12-13-25(22(31)16-19)37-14-15-38-28-26(20-8-4-6-10-23(20)32)34(3)24-11-7-5-9-21(24)27(28)35;1-18(29-30(35)32-19(2)38-29)20-10-14-23(15-11-20)36-16-17-37-28-26(21-8-12-22(31)13-9-21)33(3)25-7-5-4-6-24(25)27(28)34;1-17(29-30(36)33-18(2)39-29)19-7-6-8-21(15-19)37-13-14-38-28-26(20-11-12-23(31)24(32)16-20)34(3)25-10-5-4-9-22(25)27(28)35;1-17(29-30(36)33-18(2)39-29)20-10-13-25(23(32)16-20)37-14-15-38-28-26(19-8-11-21(31)12-9-19)34(3)24-7-5-4-6-22(24)27(28)35;1-18(29-30(35)32-19(2)38-29)20-10-14-23(15-11-20)36-16-17-37-28-26(21-8-12-22(31)13-9-21)33(3)25-7-5-4-6-24(25)27(28)34/h5-11,18-19,22H,3,12-17H2,1-2,4H3,(H,32,35);4-13,16H,2,14-15H2,1,3H3,(H,33,36);4-15H,2,16-17H2,1,3H3,(H,32,35);4-12,15-16H,2,13-14H2,1,3H3,(H,33,36);4-13,16H,2,14-15H2,1,3H3,(H,33,36);4-15H,2,16-17H2,1,3H3,(H,32,35)/b30-20+;29-17+;29-18+;2*29-17+;29-18+
InChIKeyGWYJCZLQWVVFFG-LMAMDHPVSA-N
MW3260.59 g/mol
LogP27.02
Rot. Bonds42

About (5E)-5-[1-[3-chloro-4-[2-[2-(2-fluorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[4-[2-[2-(4-chlorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[3-[2-[2-(3,4-difluorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[3-fluoro-4-[2-[2-(4-fluorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[4-[2-[2-(4-fluorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-2-methylidene-5-[1-[3-[2-[1-methyl-2-(4-methylcyclohexyl)-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-1,3-thiazolidin-4-one

(5E)-5-[1-[3-chloro-4-[2-[2-(2-fluorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[4-[2-[2-(4-chlorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[3-[2-[2-(3,4-difluorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[3-fluoro-4-[2-[2-(4-fluorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[4-[2-[2-(4-fluorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-2-methylidene-5-[1-[3-[2-[1-methyl-2-(4-methylcyclohexyl)-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-1,3-thiazolidin-4-one (PubChem CID 158390896) has the molecular formula C181H156Cl2F6N12O24S6 and a molecular weight of 3260.59 g/mol. Its IUPAC name is (5E)-5-[1-[3-chloro-4-[2-[2-(2-fluorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[4-[2-[2-(4-chlorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[3-[2-[2-(3,4-difluorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[3-fluoro-4-[2-[2-(4-fluorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[4-[2-[2-(4-fluorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-2-methylidene-5-[1-[3-[2-[1-methyl-2-(4-methylcyclohexyl)-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-[1-[3-chloro-4-[2-[2-(2-fluorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[4-[2-[2-(4-chlorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[3-[2-[2-(3,4-difluorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[3-fluoro-4-[2-[2-(4-fluorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[4-[2-[2-(4-fluorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-2-methylidene-5-[1-[3-[2-[1-methyl-2-(4-methylcyclohexyl)-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-1,3-thiazolidin-4-one
PubChem CID158390896
Molecular FormulaC181H156Cl2F6N12O24S6
Molecular Weight3260.59 g/mol
Exact Mass3256.90
IUPAC Name(5E)-5-[1-[3-chloro-4-[2-[2-(2-fluorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[4-[2-[2-(4-chlorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[3-[2-[2-(3,4-difluorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[3-fluoro-4-[2-[2-(4-fluorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[4-[2-[2-(4-fluorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-2-methylidene-5-[1-[3-[2-[1-methyl-2-(4-methylcyclohexyl)-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-1,3-thiazolidin-4-one
SMILESC=c1[nH]c(=O)/c(=C(/C)c2ccc(OCCOc3c(-c4ccc(Cl)cc4)n(C)c4ccccc4c3=O)cc2)s1.C=c1[nH]c(=O)/c(=C(/C)c2ccc(OCCOc3c(-c4ccc(F)cc4)n(C)c4ccccc4c3=O)c(F)c2)s1.C=c1[nH]c(=O)/c(=C(/C)c2ccc(OCCOc3c(-c4ccc(F)cc4)n(C)c4ccccc4c3=O)cc2)s1.C=c1[nH]c(=O)/c(=C(/C)c2ccc(OCCOc3c(-c4ccccc4F)n(C)c4ccccc4c3=O)c(Cl)c2)s1.C=c1[nH]c(=O)/c(=C(/C)c2cccc(OCCOc3c(-c4ccc(F)c(F)c4)n(C)c4ccccc4c3=O)c2)s1.C=c1[nH]c(=O)/c(=C(/C)c2cccc(OCCOc3c(C4CCC(C)CC4)n(C)c4ccccc4c3=O)c2)s1
InChIInChI=1S/C31H34N2O4S.C30H24ClFN2O4S.C30H25ClN2O4S.2C30H24F2N2O4S.C30H25FN2O4S/c1-19-12-14-22(15-13-19)27-29(28(34)25-10-5-6-11-26(25)33(27)4)37-17-16-36-24-9-7-8-23(18-24)20(2)30-31(35)32-21(3)38-30;1-17(29-30(36)33-18(2)39-29)19-12-13-25(22(31)16-19)37-14-15-38-28-26(20-8-4-6-10-23(20)32)34(3)24-11-7-5-9-21(24)27(28)35;1-18(29-30(35)32-19(2)38-29)20-10-14-23(15-11-20)36-16-17-37-28-26(21-8-12-22(31)13-9-21)33(3)25-7-5-4-6-24(25)27(28)34;1-17(29-30(36)33-18(2)39-29)19-7-6-8-21(15-19)37-13-14-38-28-26(20-11-12-23(31)24(32)16-20)34(3)25-10-5-4-9-22(25)27(28)35;1-17(29-30(36)33-18(2)39-29)20-10-13-25(23(32)16-20)37-14-15-38-28-26(19-8-11-21(31)12-9-19)34(3)24-7-5-4-6-22(24)27(28)35;1-18(29-30(35)32-19(2)38-29)20-10-14-23(15-11-20)36-16-17-37-28-26(21-8-12-22(31)13-9-21)33(3)25-7-5-4-6-24(25)27(28)34/h5-11,18-19,22H,3,12-17H2,1-2,4H3,(H,32,35);4-13,16H,2,14-15H2,1,3H3,(H,33,36);4-15H,2,16-17H2,1,3H3,(H,32,35);4-12,15-16H,2,13-14H2,1,3H3,(H,33,36);4-13,16H,2,14-15H2,1,3H3,(H,33,36);4-15H,2,16-17H2,1,3H3,(H,32,35)/b30-20+;29-17+;29-18+;2*29-17+;29-18+
InChIKeyGWYJCZLQWVVFFG-LMAMDHPVSA-N
XLogP27.02
TPSA439.92 Ų
H-Bond Donors6
H-Bond Acceptors36
Rotatable Bonds42
Heavy Atoms231
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003260.59
LogP ≤ 527.02
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (5E)-5-[1-[3-chloro-4-[2-[2-(2-fluorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[4-[2-[2-(4-chlorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[3-[2-[2-(3,4-difluorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[3-fluoro-4-[2-[2-(4-fluorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[4-[2-[2-(4-fluorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-2-methylidene-5-[1-[3-[2-[1-methyl-2-(4-methylcyclohexyl)-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-1,3-thiazolidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-[1-[3-chloro-4-[2-[2-(2-fluorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[4-[2-[2-(4-chlorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[3-[2-[2-(3,4-difluorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[3-fluoro-4-[2-[2-(4-fluorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[4-[2-[2-(4-fluorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-2-methylidene-5-[1-[3-[2-[1-methyl-2-(4-methylcyclohexyl)-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-5-[1-[3-chloro-4-[2-[2-(2-fluorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[4-[2-[2-(4-chlorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[3-[2-[2-(3,4-difluorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[3-fluoro-4-[2-[2-(4-fluorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[4-[2-[2-(4-fluorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-2-methylidene-5-[1-[3-[2-[1-methyl-2-(4-methylcyclohexyl)-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-1,3-thiazolidin-4-one (CID 158390896) is (5E)-5-[1-[3-chloro-4-[2-[2-(2-fluorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[4-[2-[2-(4-chlorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[3-[2-[2-(3,4-difluorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[3-fluoro-4-[2-[2-(4-fluorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[4-[2-[2-(4-fluorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-2-methylidene-5-[1-[3-[2-[1-methyl-2-(4-methylcyclohexyl)-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-5-[1-[3-chloro-4-[2-[2-(2-fluorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[4-[2-[2-(4-chlorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[3-[2-[2-(3,4-difluorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[3-fluoro-4-[2-[2-(4-fluorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[4-[2-[2-(4-fluorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-2-methylidene-5-[1-[3-[2-[1-methyl-2-(4-methylcyclohexyl)-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-5-[1-[3-chloro-4-[2-[2-(2-fluorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[4-[2-[2-(4-chlorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[3-[2-[2-(3,4-difluorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[3-fluoro-4-[2-[2-(4-fluorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[4-[2-[2-(4-fluorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-2-methylidene-5-[1-[3-[2-[1-methyl-2-(4-methylcyclohexyl)-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-1,3-thiazolidin-4-one is C=c1[nH]c(=O)/c(=C(/C)c2ccc(OCCOc3c(-c4ccc(Cl)cc4)n(C)c4ccccc4c3=O)cc2)s1.C=c1[nH]c(=O)/c(=C(/C)c2ccc(OCCOc3c(-c4ccc(F)cc4)n(C)c4ccccc4c3=O)c(F)c2)s1.C=c1[nH]c(=O)/c(=C(/C)c2ccc(OCCOc3c(-c4ccc(F)cc4)n(C)c4ccccc4c3=O)cc2)s1.C=c1[nH]c(=O)/c(=C(/C)c2ccc(OCCOc3c(-c4ccccc4F)n(C)c4ccccc4c3=O)c(Cl)c2)s1.C=c1[nH]c(=O)/c(=C(/C)c2cccc(OCCOc3c(-c4ccc(F)c(F)c4)n(C)c4ccccc4c3=O)c2)s1.C=c1[nH]c(=O)/c(=C(/C)c2cccc(OCCOc3c(C4CCC(C)CC4)n(C)c4ccccc4c3=O)c2)s1.
What is the InChIKey of (5E)-5-[1-[3-chloro-4-[2-[2-(2-fluorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[4-[2-[2-(4-chlorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[3-[2-[2-(3,4-difluorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[3-fluoro-4-[2-[2-(4-fluorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[4-[2-[2-(4-fluorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-2-methylidene-5-[1-[3-[2-[1-methyl-2-(4-methylcyclohexyl)-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-1,3-thiazolidin-4-one?
The InChIKey is GWYJCZLQWVVFFG-LMAMDHPVSA-N. The full InChI is InChI=1S/C31H34N2O4S.C30H24ClFN2O4S.C30H25ClN2O4S.2C30H24F2N2O4S.C30H25FN2O4S/c1-19-12-14-22(15-13-19)27-29(28(34)25-10-5-6-11-26(25)33(27)4)37-17-16-36-24-9-7-8-23(18-24)20(2)30-31(35)32-21(3)38-30;1-17(29-30(36)33-18(2)39-29)19-12-13-25(22(31)16-19)37-14-15-38-28-26(20-8-4-6-10-23(20)32)34(3)24-11-7-5-9-21(24)27(28)35;1-18(29-30(35)32-19(2)38-29)20-10-14-23(15-11-20)36-16-17-37-28-26(21-8-12-22(31)13-9-21)33(3)25-7-5-4-6-24(25)27(28)34;1-17(29-30(36)33-18(2)39-29)19-7-6-8-21(15-19)37-13-14-38-28-26(20-11-12-23(31)24(32)16-20)34(3)25-10-5-4-9-22(25)27(28)35;1-17(29-30(36)33-18(2)39-29)20-10-13-25(23(32)16-20)37-14-15-38-28-26(19-8-11-21(31)12-9-19)34(3)24-7-5-4-6-22(24)27(28)35;1-18(29-30(35)32-19(2)38-29)20-10-14-23(15-11-20)36-16-17-37-28-26(21-8-12-22(31)13-9-21)33(3)25-7-5-4-6-24(25)27(28)34/h5-11,18-19,22H,3,12-17H2,1-2,4H3,(H,32,35);4-13,16H,2,14-15H2,1,3H3,(H,33,36);4-15H,2,16-17H2,1,3H3,(H,32,35);4-12,15-16H,2,13-14H2,1,3H3,(H,33,36);4-13,16H,2,14-15H2,1,3H3,(H,33,36);4-15H,2,16-17H2,1,3H3,(H,32,35)/b30-20+;29-17+;29-18+;2*29-17+;29-18+.
What are the key properties of (5E)-5-[1-[3-chloro-4-[2-[2-(2-fluorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[4-[2-[2-(4-chlorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[3-[2-[2-(3,4-difluorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[3-fluoro-4-[2-[2-(4-fluorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[4-[2-[2-(4-fluorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-2-methylidene-5-[1-[3-[2-[1-methyl-2-(4-methylcyclohexyl)-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-1,3-thiazolidin-4-one?
(5E)-5-[1-[3-chloro-4-[2-[2-(2-fluorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[4-[2-[2-(4-chlorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[3-[2-[2-(3,4-difluorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[3-fluoro-4-[2-[2-(4-fluorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[4-[2-[2-(4-fluorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-2-methylidene-5-[1-[3-[2-[1-methyl-2-(4-methylcyclohexyl)-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-1,3-thiazolidin-4-one has a molecular weight of 3260.59 g/mol, XLogP of 27.02, 42 rotatable bonds, 6 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[1-[3-chloro-4-[2-[2-(2-fluorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[4-[2-[2-(4-chlorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[3-[2-[2-(3,4-difluorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[3-fluoro-4-[2-[2-(4-fluorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[4-[2-[2-(4-fluorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-2-methylidene-5-[1-[3-[2-[1-methyl-2-(4-methylcyclohexyl)-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 158390896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).