3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]ethyl-[3-[2-(2-methoxyethoxy)ethoxy]propanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;3-[2-[2-[2-[2-[2-[2-[2-[5-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;(2,5-dioxopyrrolidin-1-yl) 3-[2-(2-methoxyethoxy)ethoxy]propanoate

C103H172N14O33 — CID 164976348

IUPAC3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]ethyl-[3-[2-(2-methoxyethoxy)ethoxy]propanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;3-[2-[2-[2-[2-[2-[2-[2-[5-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;(2,5-dioxopyrrolidin-1-yl) 3-[2-(2-methoxyethoxy)ethoxy]propanoate
SMILESCCCCc1nc2c([nH]1)c(N)nc1ccc(N3CCN(CCOCCCCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O)CC3)cc12.CCCCc1nc2c([nH]1)c(N)nc1ccc(N3CCN(CCOCCN(CCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O)C(=O)CCOCCOCCOC)CC3)cc12.COCCOCCOCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C49H83N7O15.C42H70N6O11.C12H19NO7/c1-3-4-5-44-52-47-42-40-41(6-7-43(42)51-49(50)48(47)53-44)55-12-10-54(11-13-55)14-19-63-20-15-56(45(57)8-17-61-24-27-65-23-22-60-2)16-21-64-26-29-67-31-33-69-35-37-71-39-38-70-36-34-68-32-30-66-28-25-62-18-9-46(58)59;1-2-3-7-38-45-40-36-34-35(8-9-37(36)44-42(43)41(40)46-38)48-13-11-47(12-14-48)15-19-51-16-5-4-6-17-52-20-22-54-24-26-56-28-30-58-32-33-59-31-29-57-27-25-55-23-21-53-18-10-39(49)50;1-17-6-7-19-9-8-18-5-4-12(16)20-13-10(14)2-3-11(13)15/h6-7,40H,3-5,8-39H2,1-2H3,(H2,50,51)(H,52,53)(H,58,59);8-9,34H,2-7,10-33H2,1H3,(H2,43,44)(H,45,46)(H,49,50);2-9H2,1H3
InChIKeyDVLAFULUBUELRC-UHFFFAOYSA-N
MW2134.57 g/mol
LogP6.30
Rot. Bonds93

About 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]ethyl-[3-[2-(2-methoxyethoxy)ethoxy]propanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;3-[2-[2-[2-[2-[2-[2-[2-[5-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;(2,5-dioxopyrrolidin-1-yl) 3-[2-(2-methoxyethoxy)ethoxy]propanoate

3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]ethyl-[3-[2-(2-methoxyethoxy)ethoxy]propanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;3-[2-[2-[2-[2-[2-[2-[2-[5-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;(2,5-dioxopyrrolidin-1-yl) 3-[2-(2-methoxyethoxy)ethoxy]propanoate (PubChem CID 164976348) has the molecular formula C103H172N14O33 and a molecular weight of 2134.57 g/mol. Its IUPAC name is 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]ethyl-[3-[2-(2-methoxyethoxy)ethoxy]propanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;3-[2-[2-[2-[2-[2-[2-[2-[5-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;(2,5-dioxopyrrolidin-1-yl) 3-[2-(2-methoxyethoxy)ethoxy]propanoate.

Molecular Properties

Compound Name3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]ethyl-[3-[2-(2-methoxyethoxy)ethoxy]propanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;3-[2-[2-[2-[2-[2-[2-[2-[5-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;(2,5-dioxopyrrolidin-1-yl) 3-[2-(2-methoxyethoxy)ethoxy]propanoate
PubChem CID164976348
Molecular FormulaC103H172N14O33
Molecular Weight2134.57 g/mol
Exact Mass2133.22
IUPAC Name3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]ethyl-[3-[2-(2-methoxyethoxy)ethoxy]propanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;3-[2-[2-[2-[2-[2-[2-[2-[5-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;(2,5-dioxopyrrolidin-1-yl) 3-[2-(2-methoxyethoxy)ethoxy]propanoate
SMILESCCCCc1nc2c([nH]1)c(N)nc1ccc(N3CCN(CCOCCCCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O)CC3)cc12.CCCCc1nc2c([nH]1)c(N)nc1ccc(N3CCN(CCOCCN(CCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O)C(=O)CCOCCOCCOC)CC3)cc12.COCCOCCOCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C49H83N7O15.C42H70N6O11.C12H19NO7/c1-3-4-5-44-52-47-42-40-41(6-7-43(42)51-49(50)48(47)53-44)55-12-10-54(11-13-55)14-19-63-20-15-56(45(57)8-17-61-24-27-65-23-22-60-2)16-21-64-26-29-67-31-33-69-35-37-71-39-38-70-36-34-68-32-30-66-28-25-62-18-9-46(58)59;1-2-3-7-38-45-40-36-34-35(8-9-37(36)44-42(43)41(40)46-38)48-13-11-47(12-14-48)15-19-51-16-5-4-6-17-52-20-22-54-24-26-56-28-30-58-32-33-59-31-29-57-27-25-55-23-21-53-18-10-39(49)50;1-17-6-7-19-9-8-18-5-4-12(16)20-13-10(14)2-3-11(13)15/h6-7,40H,3-5,8-39H2,1-2H3,(H2,50,51)(H,52,53)(H,58,59);8-9,34H,2-7,10-33H2,1H3,(H2,43,44)(H,45,46)(H,49,50);2-9H2,1H3
InChIKeyDVLAFULUBUELRC-UHFFFAOYSA-N
XLogP6.30
TPSA528.25 Ų
H-Bond Donors6
H-Bond Acceptors41
Rotatable Bonds93
Heavy Atoms150
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002134.57
LogP ≤ 56.30
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

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

Analyze 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]ethyl-[3-[2-(2-methoxyethoxy)ethoxy]propanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;3-[2-[2-[2-[2-[2-[2-[2-[5-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;(2,5-dioxopyrrolidin-1-yl) 3-[2-(2-methoxyethoxy)ethoxy]propanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]ethyl-[3-[2-(2-methoxyethoxy)ethoxy]propanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;3-[2-[2-[2-[2-[2-[2-[2-[5-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;(2,5-dioxopyrrolidin-1-yl) 3-[2-(2-methoxyethoxy)ethoxy]propanoate?
The IUPAC name of 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]ethyl-[3-[2-(2-methoxyethoxy)ethoxy]propanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;3-[2-[2-[2-[2-[2-[2-[2-[5-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;(2,5-dioxopyrrolidin-1-yl) 3-[2-(2-methoxyethoxy)ethoxy]propanoate (CID 164976348) is 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]ethyl-[3-[2-(2-methoxyethoxy)ethoxy]propanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;3-[2-[2-[2-[2-[2-[2-[2-[5-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;(2,5-dioxopyrrolidin-1-yl) 3-[2-(2-methoxyethoxy)ethoxy]propanoate.
What is the SMILES notation for 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]ethyl-[3-[2-(2-methoxyethoxy)ethoxy]propanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;3-[2-[2-[2-[2-[2-[2-[2-[5-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;(2,5-dioxopyrrolidin-1-yl) 3-[2-(2-methoxyethoxy)ethoxy]propanoate?
The canonical SMILES for 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]ethyl-[3-[2-(2-methoxyethoxy)ethoxy]propanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;3-[2-[2-[2-[2-[2-[2-[2-[5-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;(2,5-dioxopyrrolidin-1-yl) 3-[2-(2-methoxyethoxy)ethoxy]propanoate is CCCCc1nc2c([nH]1)c(N)nc1ccc(N3CCN(CCOCCCCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O)CC3)cc12.CCCCc1nc2c([nH]1)c(N)nc1ccc(N3CCN(CCOCCN(CCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O)C(=O)CCOCCOCCOC)CC3)cc12.COCCOCCOCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]ethyl-[3-[2-(2-methoxyethoxy)ethoxy]propanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;3-[2-[2-[2-[2-[2-[2-[2-[5-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;(2,5-dioxopyrrolidin-1-yl) 3-[2-(2-methoxyethoxy)ethoxy]propanoate?
The InChIKey is DVLAFULUBUELRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H83N7O15.C42H70N6O11.C12H19NO7/c1-3-4-5-44-52-47-42-40-41(6-7-43(42)51-49(50)48(47)53-44)55-12-10-54(11-13-55)14-19-63-20-15-56(45(57)8-17-61-24-27-65-23-22-60-2)16-21-64-26-29-67-31-33-69-35-37-71-39-38-70-36-34-68-32-30-66-28-25-62-18-9-46(58)59;1-2-3-7-38-45-40-36-34-35(8-9-37(36)44-42(43)41(40)46-38)48-13-11-47(12-14-48)15-19-51-16-5-4-6-17-52-20-22-54-24-26-56-28-30-58-32-33-59-31-29-57-27-25-55-23-21-53-18-10-39(49)50;1-17-6-7-19-9-8-18-5-4-12(16)20-13-10(14)2-3-11(13)15/h6-7,40H,3-5,8-39H2,1-2H3,(H2,50,51)(H,52,53)(H,58,59);8-9,34H,2-7,10-33H2,1H3,(H2,43,44)(H,45,46)(H,49,50);2-9H2,1H3.
What are the key properties of 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]ethyl-[3-[2-(2-methoxyethoxy)ethoxy]propanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;3-[2-[2-[2-[2-[2-[2-[2-[5-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;(2,5-dioxopyrrolidin-1-yl) 3-[2-(2-methoxyethoxy)ethoxy]propanoate?
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]ethyl-[3-[2-(2-methoxyethoxy)ethoxy]propanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;3-[2-[2-[2-[2-[2-[2-[2-[5-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;(2,5-dioxopyrrolidin-1-yl) 3-[2-(2-methoxyethoxy)ethoxy]propanoate has a molecular weight of 2134.57 g/mol, XLogP of 6.30, 93 rotatable bonds, 6 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]ethyl-[3-[2-(2-methoxyethoxy)ethoxy]propanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;3-[2-[2-[2-[2-[2-[2-[2-[5-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;(2,5-dioxopyrrolidin-1-yl) 3-[2-(2-methoxyethoxy)ethoxy]propanoate is sourced from PubChem (CID 164976348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).