5-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)pentyl-[2-(2-carboxyethoxy)ethyl]-dimethylazanium;2-butyl-7-[5-(dimethylamino)pentyl]-3H-imidazo[4,5-c]quinolin-4-amine;tert-butyl 3-(2-iodoethoxy)propanoate

C56H88IN10O6+ — CID 165097216

About 5-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)pentyl-[2-(2-carboxyethoxy)ethyl]-dimethylazanium;2-butyl-7-[5-(dimethylamino)pentyl]-3H-imidazo[4,5-c]quinolin-4-amine;tert-butyl 3-(2-iodoethoxy)propanoate

5-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)pentyl-[2-(2-carboxyethoxy)ethyl]-dimethylazanium;2-butyl-7-[5-(dimethylamino)pentyl]-3H-imidazo[4,5-c]quinolin-4-amine;tert-butyl 3-(2-iodoethoxy)propanoate (PubChem CID 165097216) has the molecular formula C56H88IN10O6+ and a molecular weight of 1124.29 g/mol. Its IUPAC name is 5-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)pentyl-[2-(2-carboxyethoxy)ethyl]-dimethylazanium;2-butyl-7-[5-(dimethylamino)pentyl]-3H-imidazo[4,5-c]quinolin-4-amine;tert-butyl 3-(2-iodoethoxy)propanoate.

Molecular Properties

• Compound Name: 5-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)pentyl-[2-(2-carboxyethoxy)ethyl]-dimethylazanium;2-butyl-7-[5-(dimethylamino)pentyl]-3H-imidazo[4,5-c]quinolin-4-amine;tert-butyl 3-(2-iodoethoxy)propanoate
• PubChem CID: 165097216
• Molecular Formula: C56H88IN10O6+
• Molecular Weight: 1124.29 g/mol
• Exact Mass: 1123.59
• IUPAC Name: 5-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)pentyl-[2-(2-carboxyethoxy)ethyl]-dimethylazanium;2-butyl-7-[5-(dimethylamino)pentyl]-3H-imidazo[4,5-c]quinolin-4-amine;tert-butyl 3-(2-iodoethoxy)propanoate
• SMILES: CC(C)(C)OC(=O)CCOCCI.CCCCc1nc2c([nH]1)c(N)nc1cc(CCCCCN(C)C)ccc12.CCCCc1nc2c([nH]1)c(N)nc1cc(CCCCC[N+](C)(C)CCOCCC(=O)O)ccc12
• InChI: InChI=1S/C26H39N5O3.C21H31N5.C9H17IO3/c1-4-5-10-22-29-24-20-12-11-19(18-21(20)28-26(27)25(24)30-22)9-7-6-8-14-31(2,3)15-17-34-16-13-23(32)33;1-4-5-10-18-24-19-16-12-11-15(9-7-6-8-13-26(2)3)14-17(16)23-21(22)20(19)25-18;1-9(2,3)13-8(11)4-6-12-7-5-10/h11-12,18H,4-10,13-17H2,1-3H3,(H3-,27,28,29,30,32,33);11-12,14H,4-10,13H2,1-3H3,(H2,22,23)(H,24,25);4-7H2,1-3H3/p+1
• InChIKey: XSBACSOWDHRNCH-UHFFFAOYSA-O
• XLogP: 10.80
• TPSA: 220.48 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 12
• Rotatable Bonds: 29
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1124.29
LogP ≤ 5	10.80
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)pentyl-[2-(2-carboxyethoxy)ethyl]-dimethylazanium;2-butyl-7-[5-(dimethylamino)pentyl]-3H-imidazo[4,5-c]quinolin-4-amine;tert-butyl 3-(2-iodoethoxy)propanoate?

The IUPAC name of 5-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)pentyl-[2-(2-carboxyethoxy)ethyl]-dimethylazanium;2-butyl-7-[5-(dimethylamino)pentyl]-3H-imidazo[4,5-c]quinolin-4-amine;tert-butyl 3-(2-iodoethoxy)propanoate (CID 165097216) is 5-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)pentyl-[2-(2-carboxyethoxy)ethyl]-dimethylazanium;2-butyl-7-[5-(dimethylamino)pentyl]-3H-imidazo[4,5-c]quinolin-4-amine;tert-butyl 3-(2-iodoethoxy)propanoate.

What is the SMILES notation for 5-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)pentyl-[2-(2-carboxyethoxy)ethyl]-dimethylazanium;2-butyl-7-[5-(dimethylamino)pentyl]-3H-imidazo[4,5-c]quinolin-4-amine;tert-butyl 3-(2-iodoethoxy)propanoate?

The canonical SMILES for 5-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)pentyl-[2-(2-carboxyethoxy)ethyl]-dimethylazanium;2-butyl-7-[5-(dimethylamino)pentyl]-3H-imidazo[4,5-c]quinolin-4-amine;tert-butyl 3-(2-iodoethoxy)propanoate is CC(C)(C)OC(=O)CCOCCI.CCCCc1nc2c([nH]1)c(N)nc1cc(CCCCCN(C)C)ccc12.CCCCc1nc2c([nH]1)c(N)nc1cc(CCCCC[N+](C)(C)CCOCCC(=O)O)ccc12.

What is the InChIKey of 5-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)pentyl-[2-(2-carboxyethoxy)ethyl]-dimethylazanium;2-butyl-7-[5-(dimethylamino)pentyl]-3H-imidazo[4,5-c]quinolin-4-amine;tert-butyl 3-(2-iodoethoxy)propanoate?

The InChIKey is XSBACSOWDHRNCH-UHFFFAOYSA-O. The full InChI is InChI=1S/C26H39N5O3.C21H31N5.C9H17IO3/c1-4-5-10-22-29-24-20-12-11-19(18-21(20)28-26(27)25(24)30-22)9-7-6-8-14-31(2,3)15-17-34-16-13-23(32)33;1-4-5-10-18-24-19-16-12-11-15(9-7-6-8-13-26(2)3)14-17(16)23-21(22)20(19)25-18;1-9(2,3)13-8(11)4-6-12-7-5-10/h11-12,18H,4-10,13-17H2,1-3H3,(H3-,27,28,29,30,32,33);11-12,14H,4-10,13H2,1-3H3,(H2,22,23)(H,24,25);4-7H2,1-3H3/p+1.

What are the key properties of 5-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)pentyl-[2-(2-carboxyethoxy)ethyl]-dimethylazanium;2-butyl-7-[5-(dimethylamino)pentyl]-3H-imidazo[4,5-c]quinolin-4-amine;tert-butyl 3-(2-iodoethoxy)propanoate?

5-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)pentyl-[2-(2-carboxyethoxy)ethyl]-dimethylazanium;2-butyl-7-[5-(dimethylamino)pentyl]-3H-imidazo[4,5-c]quinolin-4-amine;tert-butyl 3-(2-iodoethoxy)propanoate has a molecular weight of 1124.29 g/mol, XLogP of 10.80, 29 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)pentyl-[2-(2-carboxyethoxy)ethyl]-dimethylazanium;2-butyl-7-[5-(dimethylamino)pentyl]-3H-imidazo[4,5-c]quinolin-4-amine;tert-butyl 3-(2-iodoethoxy)propanoate is sourced from PubChem (CID 165097216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).