2-(dimethylamino)ethyl 3-[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]propanoate;2-(4-methylpiperazin-1-yl)ethyl 2-[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]acetate;2-morpholin-4-ylethyl 2-[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]acetate

C102H114F3N7O22 — CID 163596649

About 2-(dimethylamino)ethyl 3-[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]propanoate;2-(4-methylpiperazin-1-yl)ethyl 2-[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]acetate;2-morpholin-4-ylethyl 2-[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]acetate

2-(dimethylamino)ethyl 3-[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]propanoate;2-(4-methylpiperazin-1-yl)ethyl 2-[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]acetate;2-morpholin-4-ylethyl 2-[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]acetate (PubChem CID 163596649) has the molecular formula C102H114F3N7O22 and a molecular weight of 1847.05 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 3-[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]propanoate;2-(4-methylpiperazin-1-yl)ethyl 2-[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]acetate;2-morpholin-4-ylethyl 2-[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]acetate.

Molecular Properties

• Compound Name: 2-(dimethylamino)ethyl 3-[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]propanoate;2-(4-methylpiperazin-1-yl)ethyl 2-[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]acetate;2-morpholin-4-ylethyl 2-[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]acetate
• PubChem CID: 163596649
• Molecular Formula: C102H114F3N7O22
• Molecular Weight: 1847.05 g/mol
• Exact Mass: 1845.80
• IUPAC Name: 2-(dimethylamino)ethyl 3-[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]propanoate;2-(4-methylpiperazin-1-yl)ethyl 2-[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]acetate;2-morpholin-4-ylethyl 2-[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]acetate
• SMILES: COc1cc(/C=C2/C(C)=C(CC(=O)NCc3ccco3)c3cc(F)ccc32)cc(OC)c1OCC(=O)OCCN1CCN(C)CC1.COc1cc(/C=C2/C(C)=C(CC(=O)NCc3ccco3)c3cc(F)ccc32)cc(OC)c1OCC(=O)OCCN1CCOCC1.COc1cc(/C=C2/C(C)=C(CC(=O)NCc3ccco3)c3cc(F)ccc32)cc(OC)c1OCCC(=O)OCCN(C)C
• InChI: InChI=1S/C35H40FN3O7.C34H37FN2O8.C33H37FN2O7/c1-23-28(27-8-7-25(36)19-30(27)29(23)20-33(40)37-21-26-6-5-14-44-26)16-24-17-31(42-3)35(32(18-24)43-4)46-22-34(41)45-15-13-39-11-9-38(2)10-12-39;1-22-27(26-7-6-24(35)18-29(26)28(22)19-32(38)36-20-25-5-4-11-43-25)15-23-16-30(40-2)34(31(17-23)41-3)45-21-33(39)44-14-10-37-8-12-42-13-9-37;1-21-26(25-9-8-23(34)18-28(25)27(21)19-31(37)35-20-24-7-6-12-41-24)15-22-16-29(39-4)33(30(17-22)40-5)43-13-10-32(38)42-14-11-36(2)3/h5-8,14,16-19H,9-13,15,20-22H2,1-4H3,(H,37,40);4-7,11,15-18H,8-10,12-14,19-21H2,1-3H3,(H,36,38);6-9,12,15-18H,10-11,13-14,19-20H2,1-5H3,(H,35,37)/b28-16-;27-15-;26-15-
• InChIKey: GUACVJQQZNCKQJ-LNCFVKNDSA-N
• XLogP: 14.71
• TPSA: 310.88 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 26
• Rotatable Bonds: 40
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1847.05
LogP ≤ 5	14.71
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 3-[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]propanoate;2-(4-methylpiperazin-1-yl)ethyl 2-[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]acetate;2-morpholin-4-ylethyl 2-[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]acetate?

The IUPAC name of 2-(dimethylamino)ethyl 3-[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]propanoate;2-(4-methylpiperazin-1-yl)ethyl 2-[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]acetate;2-morpholin-4-ylethyl 2-[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]acetate (CID 163596649) is 2-(dimethylamino)ethyl 3-[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]propanoate;2-(4-methylpiperazin-1-yl)ethyl 2-[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]acetate;2-morpholin-4-ylethyl 2-[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]acetate.

What is the SMILES notation for 2-(dimethylamino)ethyl 3-[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]propanoate;2-(4-methylpiperazin-1-yl)ethyl 2-[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]acetate;2-morpholin-4-ylethyl 2-[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]acetate?

The canonical SMILES for 2-(dimethylamino)ethyl 3-[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]propanoate;2-(4-methylpiperazin-1-yl)ethyl 2-[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]acetate;2-morpholin-4-ylethyl 2-[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]acetate is COc1cc(/C=C2/C(C)=C(CC(=O)NCc3ccco3)c3cc(F)ccc32)cc(OC)c1OCC(=O)OCCN1CCN(C)CC1.COc1cc(/C=C2/C(C)=C(CC(=O)NCc3ccco3)c3cc(F)ccc32)cc(OC)c1OCC(=O)OCCN1CCOCC1.COc1cc(/C=C2/C(C)=C(CC(=O)NCc3ccco3)c3cc(F)ccc32)cc(OC)c1OCCC(=O)OCCN(C)C.

What is the InChIKey of 2-(dimethylamino)ethyl 3-[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]propanoate;2-(4-methylpiperazin-1-yl)ethyl 2-[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]acetate;2-morpholin-4-ylethyl 2-[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]acetate?

The InChIKey is GUACVJQQZNCKQJ-LNCFVKNDSA-N. The full InChI is InChI=1S/C35H40FN3O7.C34H37FN2O8.C33H37FN2O7/c1-23-28(27-8-7-25(36)19-30(27)29(23)20-33(40)37-21-26-6-5-14-44-26)16-24-17-31(42-3)35(32(18-24)43-4)46-22-34(41)45-15-13-39-11-9-38(2)10-12-39;1-22-27(26-7-6-24(35)18-29(26)28(22)19-32(38)36-20-25-5-4-11-43-25)15-23-16-30(40-2)34(31(17-23)41-3)45-21-33(39)44-14-10-37-8-12-42-13-9-37;1-21-26(25-9-8-23(34)18-28(25)27(21)19-31(37)35-20-24-7-6-12-41-24)15-22-16-29(39-4)33(30(17-22)40-5)43-13-10-32(38)42-14-11-36(2)3/h5-8,14,16-19H,9-13,15,20-22H2,1-4H3,(H,37,40);4-7,11,15-18H,8-10,12-14,19-21H2,1-3H3,(H,36,38);6-9,12,15-18H,10-11,13-14,19-20H2,1-5H3,(H,35,37)/b28-16-;27-15-;26-15-.

What are the key properties of 2-(dimethylamino)ethyl 3-[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]propanoate;2-(4-methylpiperazin-1-yl)ethyl 2-[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]acetate;2-morpholin-4-ylethyl 2-[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]acetate?

2-(dimethylamino)ethyl 3-[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]propanoate;2-(4-methylpiperazin-1-yl)ethyl 2-[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]acetate;2-morpholin-4-ylethyl 2-[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]acetate has a molecular weight of 1847.05 g/mol, XLogP of 14.71, 40 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(dimethylamino)ethyl 3-[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]propanoate;2-(4-methylpiperazin-1-yl)ethyl 2-[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]acetate;2-morpholin-4-ylethyl 2-[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]acetate is sourced from PubChem (CID 163596649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).