6-(11-aminoundecyl)-N-methyl-4-[(1-methylpiperidin-4-yl)amino]quinoline-3-carboxamide;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;6-[11-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]undecyl]-N-methyl-4-[(1-methylpiperidin-4-yl)amino]quinoline-3-carboxamide

C86H112N14O15 — CID 158174450

About 6-(11-aminoundecyl)-N-methyl-4-[(1-methylpiperidin-4-yl)amino]quinoline-3-carboxamide;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;6-[11-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]undecyl]-N-methyl-4-[(1-methylpiperidin-4-yl)amino]quinoline-3-carboxamide

6-(11-aminoundecyl)-N-methyl-4-[(1-methylpiperidin-4-yl)amino]quinoline-3-carboxamide;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;6-[11-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]undecyl]-N-methyl-4-[(1-methylpiperidin-4-yl)amino]quinoline-3-carboxamide (PubChem CID 158174450) has the molecular formula C86H112N14O15 and a molecular weight of 1581.92 g/mol. Its IUPAC name is 6-(11-aminoundecyl)-N-methyl-4-[(1-methylpiperidin-4-yl)amino]quinoline-3-carboxamide;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;6-[11-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]undecyl]-N-methyl-4-[(1-methylpiperidin-4-yl)amino]quinoline-3-carboxamide.

Molecular Properties

• Compound Name: 6-(11-aminoundecyl)-N-methyl-4-[(1-methylpiperidin-4-yl)amino]quinoline-3-carboxamide;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;6-[11-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]undecyl]-N-methyl-4-[(1-methylpiperidin-4-yl)amino]quinoline-3-carboxamide
• PubChem CID: 158174450
• Molecular Formula: C86H112N14O15
• Molecular Weight: 1581.92 g/mol
• Exact Mass: 1580.84
• IUPAC Name: 6-(11-aminoundecyl)-N-methyl-4-[(1-methylpiperidin-4-yl)amino]quinoline-3-carboxamide;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;6-[11-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]undecyl]-N-methyl-4-[(1-methylpiperidin-4-yl)amino]quinoline-3-carboxamide
• SMILES: CNC(=O)c1cnc2ccc(CCCCCCCCCCCN)cc2c1NC1CCN(C)CC1.CNC(=O)c1cnc2ccc(CCCCCCCCCCCNC(=O)COc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)cc2c1NC1CCN(C)CC1.O=C(O)COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
• InChI: InChI=1S/C43H55N7O7.C28H45N5O.C15H12N2O7/c1-44-40(53)32-26-46-33-17-16-28(25-31(33)39(32)47-29-20-23-49(2)24-21-29)13-10-8-6-4-3-5-7-9-11-22-45-37(52)27-57-35-15-12-14-30-38(35)43(56)50(42(30)55)34-18-19-36(51)48-41(34)54;1-30-28(34)25-21-31-26-14-13-22(12-10-8-6-4-3-5-7-9-11-17-29)20-24(26)27(25)32-23-15-18-33(2)19-16-23;18-10-5-4-8(13(21)16-10)17-14(22)7-2-1-3-9(12(7)15(17)23)24-6-11(19)20/h12,14-17,25-26,29,34H,3-11,13,18-24,27H2,1-2H3,(H,44,53)(H,45,52)(H,46,47)(H,48,51,54);13-14,20-21,23H,3-12,15-19,29H2,1-2H3,(H,30,34)(H,31,32);1-3,8H,4-6H2,(H,19,20)(H,16,18,21)
• InChIKey: FXVLRCSHWQDMPX-UHFFFAOYSA-N
• XLogP: 9.41
• TPSA: 392.50 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 21
• Rotatable Bonds: 37
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1581.92
LogP ≤ 5	9.41
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(11-aminoundecyl)-N-methyl-4-[(1-methylpiperidin-4-yl)amino]quinoline-3-carboxamide;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;6-[11-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]undecyl]-N-methyl-4-[(1-methylpiperidin-4-yl)amino]quinoline-3-carboxamide?

The IUPAC name of 6-(11-aminoundecyl)-N-methyl-4-[(1-methylpiperidin-4-yl)amino]quinoline-3-carboxamide;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;6-[11-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]undecyl]-N-methyl-4-[(1-methylpiperidin-4-yl)amino]quinoline-3-carboxamide (CID 158174450) is 6-(11-aminoundecyl)-N-methyl-4-[(1-methylpiperidin-4-yl)amino]quinoline-3-carboxamide;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;6-[11-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]undecyl]-N-methyl-4-[(1-methylpiperidin-4-yl)amino]quinoline-3-carboxamide.

What is the SMILES notation for 6-(11-aminoundecyl)-N-methyl-4-[(1-methylpiperidin-4-yl)amino]quinoline-3-carboxamide;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;6-[11-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]undecyl]-N-methyl-4-[(1-methylpiperidin-4-yl)amino]quinoline-3-carboxamide?

The canonical SMILES for 6-(11-aminoundecyl)-N-methyl-4-[(1-methylpiperidin-4-yl)amino]quinoline-3-carboxamide;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;6-[11-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]undecyl]-N-methyl-4-[(1-methylpiperidin-4-yl)amino]quinoline-3-carboxamide is CNC(=O)c1cnc2ccc(CCCCCCCCCCCN)cc2c1NC1CCN(C)CC1.CNC(=O)c1cnc2ccc(CCCCCCCCCCCNC(=O)COc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)cc2c1NC1CCN(C)CC1.O=C(O)COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.

What is the InChIKey of 6-(11-aminoundecyl)-N-methyl-4-[(1-methylpiperidin-4-yl)amino]quinoline-3-carboxamide;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;6-[11-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]undecyl]-N-methyl-4-[(1-methylpiperidin-4-yl)amino]quinoline-3-carboxamide?

The InChIKey is FXVLRCSHWQDMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H55N7O7.C28H45N5O.C15H12N2O7/c1-44-40(53)32-26-46-33-17-16-28(25-31(33)39(32)47-29-20-23-49(2)24-21-29)13-10-8-6-4-3-5-7-9-11-22-45-37(52)27-57-35-15-12-14-30-38(35)43(56)50(42(30)55)34-18-19-36(51)48-41(34)54;1-30-28(34)25-21-31-26-14-13-22(12-10-8-6-4-3-5-7-9-11-17-29)20-24(26)27(25)32-23-15-18-33(2)19-16-23;18-10-5-4-8(13(21)16-10)17-14(22)7-2-1-3-9(12(7)15(17)23)24-6-11(19)20/h12,14-17,25-26,29,34H,3-11,13,18-24,27H2,1-2H3,(H,44,53)(H,45,52)(H,46,47)(H,48,51,54);13-14,20-21,23H,3-12,15-19,29H2,1-2H3,(H,30,34)(H,31,32);1-3,8H,4-6H2,(H,19,20)(H,16,18,21).

What are the key properties of 6-(11-aminoundecyl)-N-methyl-4-[(1-methylpiperidin-4-yl)amino]quinoline-3-carboxamide;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;6-[11-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]undecyl]-N-methyl-4-[(1-methylpiperidin-4-yl)amino]quinoline-3-carboxamide?

6-(11-aminoundecyl)-N-methyl-4-[(1-methylpiperidin-4-yl)amino]quinoline-3-carboxamide;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;6-[11-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]undecyl]-N-methyl-4-[(1-methylpiperidin-4-yl)amino]quinoline-3-carboxamide has a molecular weight of 1581.92 g/mol, XLogP of 9.41, 37 rotatable bonds, 9 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(11-aminoundecyl)-N-methyl-4-[(1-methylpiperidin-4-yl)amino]quinoline-3-carboxamide;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;6-[11-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]undecyl]-N-methyl-4-[(1-methylpiperidin-4-yl)amino]quinoline-3-carboxamide is sourced from PubChem (CID 158174450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).