3-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]-N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]propanamide;N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]-2,2,2-trifluoroacetamide;(2,3,5,6-tetrafluorophenyl) 3-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]propanoate

C74H93F7N16O14 — CID 165027986

About 3-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]-N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]propanamide;N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]-2,2,2-trifluoroacetamide;(2,3,5,6-tetrafluorophenyl) 3-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]propanoate

3-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]-N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]propanamide;N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]-2,2,2-trifluoroacetamide;(2,3,5,6-tetrafluorophenyl) 3-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]propanoate (PubChem CID 165027986) has the molecular formula C74H93F7N16O14 and a molecular weight of 1563.64 g/mol. Its IUPAC name is 3-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]-N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]propanamide;N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]-2,2,2-trifluoroacetamide;(2,3,5,6-tetrafluorophenyl) 3-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]propanoate.

Molecular Properties

• Compound Name: 3-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]-N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]propanamide;N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]-2,2,2-trifluoroacetamide;(2,3,5,6-tetrafluorophenyl) 3-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]propanoate
• PubChem CID: 165027986
• Molecular Formula: C74H93F7N16O14
• Molecular Weight: 1563.64 g/mol
• Exact Mass: 1562.69
• IUPAC Name: 3-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]-N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]propanamide;N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]-2,2,2-trifluoroacetamide;(2,3,5,6-tetrafluorophenyl) 3-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]propanoate
• SMILES: CCCCc1nc2c([nH]1)c(N)nc1ccc(N3CCN(CCOCCC(=O)NCCOCCOCCN4C(=O)C=CC4=O)CC3)cc12.CCCCc1nc2c([nH]1)c(N)nc1ccc(N3CCN(CCOCCC(=O)Oc4c(F)c(F)cc(F)c4F)CC3)cc12.O=C1C=CC(=O)N1CCOCCOCCNC(=O)C(F)(F)F
• InChI: InChI=1S/C33H46N8O6.C29H32F4N6O3.C12H15F3N2O5/c1-2-3-4-27-37-31-25-23-24(5-6-26(25)36-33(34)32(31)38-27)40-13-11-39(12-14-40)15-19-45-17-9-28(42)35-10-18-46-21-22-47-20-16-41-29(43)7-8-30(41)44;1-2-3-4-22-36-26-18-15-17(5-6-21(18)35-29(34)27(26)37-22)39-10-8-38(9-11-39)12-14-41-13-7-23(40)42-28-24(32)19(30)16-20(31)25(28)33;13-12(14,15)11(20)16-3-5-21-7-8-22-6-4-17-9(18)1-2-10(17)19/h5-8,23H,2-4,9-22H2,1H3,(H2,34,36)(H,35,42)(H,37,38);5-6,15-16H,2-4,7-14H2,1H3,(H2,34,35)(H,36,37);1-2H,3-8H2,(H,16,20)
• InChIKey: MERBFLPATZMJOU-UHFFFAOYSA-N
• XLogP: 5.99
• TPSA: 362.78 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 39
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1563.64
LogP ≤ 5	5.99
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]-N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]propanamide;N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]-2,2,2-trifluoroacetamide;(2,3,5,6-tetrafluorophenyl) 3-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]propanoate?

The IUPAC name of 3-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]-N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]propanamide;N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]-2,2,2-trifluoroacetamide;(2,3,5,6-tetrafluorophenyl) 3-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]propanoate (CID 165027986) is 3-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]-N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]propanamide;N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]-2,2,2-trifluoroacetamide;(2,3,5,6-tetrafluorophenyl) 3-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]propanoate.

What is the SMILES notation for 3-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]-N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]propanamide;N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]-2,2,2-trifluoroacetamide;(2,3,5,6-tetrafluorophenyl) 3-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]propanoate?

The canonical SMILES for 3-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]-N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]propanamide;N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]-2,2,2-trifluoroacetamide;(2,3,5,6-tetrafluorophenyl) 3-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]propanoate is CCCCc1nc2c([nH]1)c(N)nc1ccc(N3CCN(CCOCCC(=O)NCCOCCOCCN4C(=O)C=CC4=O)CC3)cc12.CCCCc1nc2c([nH]1)c(N)nc1ccc(N3CCN(CCOCCC(=O)Oc4c(F)c(F)cc(F)c4F)CC3)cc12.O=C1C=CC(=O)N1CCOCCOCCNC(=O)C(F)(F)F.

What is the InChIKey of 3-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]-N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]propanamide;N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]-2,2,2-trifluoroacetamide;(2,3,5,6-tetrafluorophenyl) 3-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]propanoate?

The InChIKey is MERBFLPATZMJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H46N8O6.C29H32F4N6O3.C12H15F3N2O5/c1-2-3-4-27-37-31-25-23-24(5-6-26(25)36-33(34)32(31)38-27)40-13-11-39(12-14-40)15-19-45-17-9-28(42)35-10-18-46-21-22-47-20-16-41-29(43)7-8-30(41)44;1-2-3-4-22-36-26-18-15-17(5-6-21(18)35-29(34)27(26)37-22)39-10-8-38(9-11-39)12-14-41-13-7-23(40)42-28-24(32)19(30)16-20(31)25(28)33;13-12(14,15)11(20)16-3-5-21-7-8-22-6-4-17-9(18)1-2-10(17)19/h5-8,23H,2-4,9-22H2,1H3,(H2,34,36)(H,35,42)(H,37,38);5-6,15-16H,2-4,7-14H2,1H3,(H2,34,35)(H,36,37);1-2H,3-8H2,(H,16,20).

What are the key properties of 3-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]-N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]propanamide;N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]-2,2,2-trifluoroacetamide;(2,3,5,6-tetrafluorophenyl) 3-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]propanoate?

3-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]-N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]propanamide;N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]-2,2,2-trifluoroacetamide;(2,3,5,6-tetrafluorophenyl) 3-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]propanoate has a molecular weight of 1563.64 g/mol, XLogP of 5.99, 39 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]-N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]propanamide;N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]-2,2,2-trifluoroacetamide;(2,3,5,6-tetrafluorophenyl) 3-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]propanoate is sourced from PubChem (CID 165027986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).