2-[(3Z)-5,6-dimethoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]-N-[(3S)-1-methylpyrrolidin-3-yl]acetamide;1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-[(3Z)-2,6-dimethyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]ethanone;1-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-2-[(3Z)-6-methoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]ethanone;2-[(3Z)-6-methoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;trihydrochloride

C115H145Cl3N8O20 — CID 169429233

About 2-[(3Z)-5,6-dimethoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]-N-[(3S)-1-methylpyrrolidin-3-yl]acetamide;1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-[(3Z)-2,6-dimethyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]ethanone;1-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-2-[(3Z)-6-methoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]ethanone;2-[(3Z)-6-methoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;trihydrochloride

2-[(3Z)-5,6-dimethoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]-N-[(3S)-1-methylpyrrolidin-3-yl]acetamide;1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-[(3Z)-2,6-dimethyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]ethanone;1-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-2-[(3Z)-6-methoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]ethanone;2-[(3Z)-6-methoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;trihydrochloride (PubChem CID 169429233) has the molecular formula C115H145Cl3N8O20 and a molecular weight of 2065.82 g/mol. Its IUPAC name is 2-[(3Z)-5,6-dimethoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]-N-[(3S)-1-methylpyrrolidin-3-yl]acetamide;1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-[(3Z)-2,6-dimethyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]ethanone;1-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-2-[(3Z)-6-methoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]ethanone;2-[(3Z)-6-methoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;trihydrochloride.

Molecular Properties

• Compound Name: 2-[(3Z)-5,6-dimethoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]-N-[(3S)-1-methylpyrrolidin-3-yl]acetamide;1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-[(3Z)-2,6-dimethyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]ethanone;1-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-2-[(3Z)-6-methoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]ethanone;2-[(3Z)-6-methoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;trihydrochloride
• PubChem CID: 169429233
• Molecular Formula: C115H145Cl3N8O20
• Molecular Weight: 2065.82 g/mol
• Exact Mass: 2062.96
• IUPAC Name: 2-[(3Z)-5,6-dimethoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]-N-[(3S)-1-methylpyrrolidin-3-yl]acetamide;1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-[(3Z)-2,6-dimethyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]ethanone;1-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-2-[(3Z)-6-methoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]ethanone;2-[(3Z)-6-methoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;trihydrochloride
• SMILES: COc1cc(/C=C2/C(C)=C(CC(=O)N3CC[C@@H](N(C)C)C3)c3cc(C)ccc32)cc(OC)c1OC.COc1cc2c(cc1OC)/C(=C\c1cc(OC)c(OC)c(OC)c1)C(C)=C2CC(=O)N[C@H]1CCN(C)C1.COc1ccc2c(c1)C(CC(=O)N1CCN(C)CC1)=C(C)/C2=C/c1cc(OC)c(OC)c(OC)c1.COc1ccc2c(c1)C(CC(=O)N1CC[C@H](N(C)C)C1)=C(C)/C2=C/c1cc(OC)c(OC)c(OC)c1.Cl.Cl.Cl
• InChI: InChI=1S/C29H36N2O6.C29H36N2O5.C29H36N2O4.C28H34N2O5.3ClH/c1-17-20(10-18-11-26(35-5)29(37-7)27(12-18)36-6)22-13-24(33-3)25(34-4)14-23(22)21(17)15-28(32)30-19-8-9-31(2)16-19;1-18-23(12-19-13-26(34-5)29(36-7)27(14-19)35-6)22-9-8-21(33-4)15-25(22)24(18)16-28(32)31-11-10-20(17-31)30(2)3;1-18-8-9-22-23(13-20-14-26(33-5)29(35-7)27(15-20)34-6)19(2)24(25(22)12-18)16-28(32)31-11-10-21(17-31)30(3)4;1-18-22(13-19-14-25(33-4)28(35-6)26(15-19)34-5)21-8-7-20(32-3)16-24(21)23(18)17-27(31)30-11-9-29(2)10-12-30;;;/h10-14,19H,8-9,15-16H2,1-7H3,(H,30,32);8-9,12-15,20H,10-11,16-17H2,1-7H3;8-9,12-15,21H,10-11,16-17H2,1-7H3;7-8,13-16H,9-12,17H2,1-6H3;3*1H/b20-10-;23-12-;23-13-;22-13-;;;/t19-;20-;21-;;;;/m001..../s1
• InChIKey: MADFHQBGDIWQFJ-JXYOATNFSA-N
• XLogP: 19.25
• TPSA: 250.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 24
• Rotatable Bonds: 31
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2065.82
LogP ≤ 5	19.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(3Z)-5,6-dimethoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]-N-[(3S)-1-methylpyrrolidin-3-yl]acetamide;1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-[(3Z)-2,6-dimethyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]ethanone;1-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-2-[(3Z)-6-methoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]ethanone;2-[(3Z)-6-methoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;trihydrochloride?

The IUPAC name of 2-[(3Z)-5,6-dimethoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]-N-[(3S)-1-methylpyrrolidin-3-yl]acetamide;1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-[(3Z)-2,6-dimethyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]ethanone;1-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-2-[(3Z)-6-methoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]ethanone;2-[(3Z)-6-methoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;trihydrochloride (CID 169429233) is 2-[(3Z)-5,6-dimethoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]-N-[(3S)-1-methylpyrrolidin-3-yl]acetamide;1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-[(3Z)-2,6-dimethyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]ethanone;1-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-2-[(3Z)-6-methoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]ethanone;2-[(3Z)-6-methoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;trihydrochloride.

What is the SMILES notation for 2-[(3Z)-5,6-dimethoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]-N-[(3S)-1-methylpyrrolidin-3-yl]acetamide;1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-[(3Z)-2,6-dimethyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]ethanone;1-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-2-[(3Z)-6-methoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]ethanone;2-[(3Z)-6-methoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;trihydrochloride?

The canonical SMILES for 2-[(3Z)-5,6-dimethoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]-N-[(3S)-1-methylpyrrolidin-3-yl]acetamide;1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-[(3Z)-2,6-dimethyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]ethanone;1-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-2-[(3Z)-6-methoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]ethanone;2-[(3Z)-6-methoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;trihydrochloride is COc1cc(/C=C2/C(C)=C(CC(=O)N3CC[C@@H](N(C)C)C3)c3cc(C)ccc32)cc(OC)c1OC.COc1cc2c(cc1OC)/C(=C\c1cc(OC)c(OC)c(OC)c1)C(C)=C2CC(=O)N[C@H]1CCN(C)C1.COc1ccc2c(c1)C(CC(=O)N1CCN(C)CC1)=C(C)/C2=C/c1cc(OC)c(OC)c(OC)c1.COc1ccc2c(c1)C(CC(=O)N1CC[C@H](N(C)C)C1)=C(C)/C2=C/c1cc(OC)c(OC)c(OC)c1.Cl.Cl.Cl.

What is the InChIKey of 2-[(3Z)-5,6-dimethoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]-N-[(3S)-1-methylpyrrolidin-3-yl]acetamide;1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-[(3Z)-2,6-dimethyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]ethanone;1-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-2-[(3Z)-6-methoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]ethanone;2-[(3Z)-6-methoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;trihydrochloride?

The InChIKey is MADFHQBGDIWQFJ-JXYOATNFSA-N. The full InChI is InChI=1S/C29H36N2O6.C29H36N2O5.C29H36N2O4.C28H34N2O5.3ClH/c1-17-20(10-18-11-26(35-5)29(37-7)27(12-18)36-6)22-13-24(33-3)25(34-4)14-23(22)21(17)15-28(32)30-19-8-9-31(2)16-19;1-18-23(12-19-13-26(34-5)29(36-7)27(14-19)35-6)22-9-8-21(33-4)15-25(22)24(18)16-28(32)31-11-10-20(17-31)30(2)3;1-18-8-9-22-23(13-20-14-26(33-5)29(35-7)27(15-20)34-6)19(2)24(25(22)12-18)16-28(32)31-11-10-21(17-31)30(3)4;1-18-22(13-19-14-25(33-4)28(35-6)26(15-19)34-5)21-8-7-20(32-3)16-24(21)23(18)17-27(31)30-11-9-29(2)10-12-30;;;/h10-14,19H,8-9,15-16H2,1-7H3,(H,30,32);8-9,12-15,20H,10-11,16-17H2,1-7H3;8-9,12-15,21H,10-11,16-17H2,1-7H3;7-8,13-16H,9-12,17H2,1-6H3;3*1H/b20-10-;23-12-;23-13-;22-13-;;;/t19-;20-;21-;;;;/m001..../s1.

What are the key properties of 2-[(3Z)-5,6-dimethoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]-N-[(3S)-1-methylpyrrolidin-3-yl]acetamide;1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-[(3Z)-2,6-dimethyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]ethanone;1-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-2-[(3Z)-6-methoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]ethanone;2-[(3Z)-6-methoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;trihydrochloride?

2-[(3Z)-5,6-dimethoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]-N-[(3S)-1-methylpyrrolidin-3-yl]acetamide;1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-[(3Z)-2,6-dimethyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]ethanone;1-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-2-[(3Z)-6-methoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]ethanone;2-[(3Z)-6-methoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;trihydrochloride has a molecular weight of 2065.82 g/mol, XLogP of 19.25, 31 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3Z)-5,6-dimethoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]-N-[(3S)-1-methylpyrrolidin-3-yl]acetamide;1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-[(3Z)-2,6-dimethyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]ethanone;1-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-2-[(3Z)-6-methoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]ethanone;2-[(3Z)-6-methoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;trihydrochloride is sourced from PubChem (CID 169429233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).