2-[2-[2-[2-[[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-4-oxobutanoyl]-methylamino]ethyl-methylcarbamoyl]oxyethoxy]-3-[2-[2-[2-[[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-4-oxobutanoyl]-methylamino]ethyl-methylcarbamoyl]oxyethoxy]-3-[2-[2-[2-[[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-4-oxobutanoyl]-methylamino]ethyl-methylcarbamoyl]oxyethoxy]-3-methoxypropoxy]propoxy]propoxy]ethyl N-[2-[[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-4-oxobutanoyl]-methylamino]ethyl]-N-methylcarbamate

C122H174N24O31 — CID 59172321

About 2-[2-[2-[2-[[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-4-oxobutanoyl]-methylamino]ethyl-methylcarbamoyl]oxyethoxy]-3-[2-[2-[2-[[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-4-oxobutanoyl]-methylamino]ethyl-methylcarbamoyl]oxyethoxy]-3-[2-[2-[2-[[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-4-oxobutanoyl]-methylamino]ethyl-methylcarbamoyl]oxyethoxy]-3-methoxypropoxy]propoxy]propoxy]ethyl N-[2-[[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-4-oxobutanoyl]-methylamino]ethyl]-N-methylcarbamate

2-[2-[2-[2-[[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-4-oxobutanoyl]-methylamino]ethyl-methylcarbamoyl]oxyethoxy]-3-[2-[2-[2-[[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-4-oxobutanoyl]-methylamino]ethyl-methylcarbamoyl]oxyethoxy]-3-[2-[2-[2-[[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-4-oxobutanoyl]-methylamino]ethyl-methylcarbamoyl]oxyethoxy]-3-methoxypropoxy]propoxy]propoxy]ethyl N-[2-[[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-4-oxobutanoyl]-methylamino]ethyl]-N-methylcarbamate (PubChem CID 59172321) has the molecular formula C122H174N24O31 and a molecular weight of 2472.87 g/mol. Its IUPAC name is 2-[2-[2-[2-[[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-4-oxobutanoyl]-methylamino]ethyl-methylcarbamoyl]oxyethoxy]-3-[2-[2-[2-[[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-4-oxobutanoyl]-methylamino]ethyl-methylcarbamoyl]oxyethoxy]-3-[2-[2-[2-[[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-4-oxobutanoyl]-methylamino]ethyl-methylcarbamoyl]oxyethoxy]-3-methoxypropoxy]propoxy]propoxy]ethyl N-[2-[[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-4-oxobutanoyl]-methylamino]ethyl]-N-methylcarbamate.

Molecular Properties

• Compound Name: 2-[2-[2-[2-[[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-4-oxobutanoyl]-methylamino]ethyl-methylcarbamoyl]oxyethoxy]-3-[2-[2-[2-[[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-4-oxobutanoyl]-methylamino]ethyl-methylcarbamoyl]oxyethoxy]-3-[2-[2-[2-[[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-4-oxobutanoyl]-methylamino]ethyl-methylcarbamoyl]oxyethoxy]-3-methoxypropoxy]propoxy]propoxy]ethyl N-[2-[[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-4-oxobutanoyl]-methylamino]ethyl]-N-methylcarbamate
• PubChem CID: 59172321
• Molecular Formula: C122H174N24O31
• Molecular Weight: 2472.87 g/mol
• Exact Mass: 2471.28
• IUPAC Name: 2-[2-[2-[2-[[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-4-oxobutanoyl]-methylamino]ethyl-methylcarbamoyl]oxyethoxy]-3-[2-[2-[2-[[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-4-oxobutanoyl]-methylamino]ethyl-methylcarbamoyl]oxyethoxy]-3-[2-[2-[2-[[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-4-oxobutanoyl]-methylamino]ethyl-methylcarbamoyl]oxyethoxy]-3-methoxypropoxy]propoxy]propoxy]ethyl N-[2-[[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-4-oxobutanoyl]-methylamino]ethyl]-N-methylcarbamate
• SMILES: CCOCc1nc2c(NC(=O)CCC(=O)N(C)CCN(C)C(=O)OCCOCC(COCC(COCC(COC)OCCOC(=O)N(C)CCN(C)C(=O)CCC(=O)Nc3nc4ccccc4c4c3nc(COCC)n4CC(C)(C)O)OCCOC(=O)N(C)CCN(C)C(=O)CCC(=O)Nc3nc4ccccc4c4c3nc(COCC)n4CC(C)(C)O)OCCOC(=O)N(C)CCN(C)C(=O)CCC(=O)Nc3nc4ccccc4c4c3nc(COCC)n4CC(C)(C)O)nc3ccccc3c2n1CC(C)(C)O
• InChI: InChI=1S/C122H174N24O31/c1-22-164-72-91-127-103-107(143(91)76-119(5,6)159)83-34-26-30-38-87(83)123-111(103)131-95(147)42-46-99(151)135(13)50-54-139(17)115(155)174-59-58-168-67-81(172-61-64-176-117(157)141(19)56-52-137(15)101(153)48-44-97(149)133-113-105-109(85-36-28-32-40-89(85)125-113)145(78-121(9,10)161)93(129-105)74-166-24-3)69-170-71-82(173-62-65-177-118(158)142(20)57-53-138(16)102(154)49-45-98(150)134-114-106-110(86-37-29-33-41-90(86)126-114)146(79-122(11,12)162)94(130-106)75-167-25-4)70-169-68-80(66-163-21)171-60-63-175-116(156)140(18)55-51-136(14)100(152)47-43-96(148)132-112-104-108(84-35-27-31-39-88(84)124-112)144(77-120(7,8)160)92(128-104)73-165-23-2/h26-41,80-82,159-162H,22-25,42-79H2,1-21H3,(H,123,131,147)(H,124,132,148)(H,125,133,149)(H,126,134,150)
• InChIKey: UERNVWIYWGNGQT-UHFFFAOYSA-N
• XLogP: 10.44
• TPSA: 621.09 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 43
• Rotatable Bonds: 75
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2472.87
LogP ≤ 5	10.44
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-4-oxobutanoyl]-methylamino]ethyl-methylcarbamoyl]oxyethoxy]-3-[2-[2-[2-[[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-4-oxobutanoyl]-methylamino]ethyl-methylcarbamoyl]oxyethoxy]-3-[2-[2-[2-[[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-4-oxobutanoyl]-methylamino]ethyl-methylcarbamoyl]oxyethoxy]-3-methoxypropoxy]propoxy]propoxy]ethyl N-[2-[[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-4-oxobutanoyl]-methylamino]ethyl]-N-methylcarbamate?

The IUPAC name of 2-[2-[2-[2-[[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-4-oxobutanoyl]-methylamino]ethyl-methylcarbamoyl]oxyethoxy]-3-[2-[2-[2-[[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-4-oxobutanoyl]-methylamino]ethyl-methylcarbamoyl]oxyethoxy]-3-[2-[2-[2-[[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-4-oxobutanoyl]-methylamino]ethyl-methylcarbamoyl]oxyethoxy]-3-methoxypropoxy]propoxy]propoxy]ethyl N-[2-[[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-4-oxobutanoyl]-methylamino]ethyl]-N-methylcarbamate (CID 59172321) is 2-[2-[2-[2-[[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-4-oxobutanoyl]-methylamino]ethyl-methylcarbamoyl]oxyethoxy]-3-[2-[2-[2-[[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-4-oxobutanoyl]-methylamino]ethyl-methylcarbamoyl]oxyethoxy]-3-[2-[2-[2-[[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-4-oxobutanoyl]-methylamino]ethyl-methylcarbamoyl]oxyethoxy]-3-methoxypropoxy]propoxy]propoxy]ethyl N-[2-[[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-4-oxobutanoyl]-methylamino]ethyl]-N-methylcarbamate.

What is the SMILES notation for 2-[2-[2-[2-[[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-4-oxobutanoyl]-methylamino]ethyl-methylcarbamoyl]oxyethoxy]-3-[2-[2-[2-[[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-4-oxobutanoyl]-methylamino]ethyl-methylcarbamoyl]oxyethoxy]-3-[2-[2-[2-[[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-4-oxobutanoyl]-methylamino]ethyl-methylcarbamoyl]oxyethoxy]-3-methoxypropoxy]propoxy]propoxy]ethyl N-[2-[[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-4-oxobutanoyl]-methylamino]ethyl]-N-methylcarbamate?

The canonical SMILES for 2-[2-[2-[2-[[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-4-oxobutanoyl]-methylamino]ethyl-methylcarbamoyl]oxyethoxy]-3-[2-[2-[2-[[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-4-oxobutanoyl]-methylamino]ethyl-methylcarbamoyl]oxyethoxy]-3-[2-[2-[2-[[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-4-oxobutanoyl]-methylamino]ethyl-methylcarbamoyl]oxyethoxy]-3-methoxypropoxy]propoxy]propoxy]ethyl N-[2-[[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-4-oxobutanoyl]-methylamino]ethyl]-N-methylcarbamate is CCOCc1nc2c(NC(=O)CCC(=O)N(C)CCN(C)C(=O)OCCOCC(COCC(COCC(COC)OCCOC(=O)N(C)CCN(C)C(=O)CCC(=O)Nc3nc4ccccc4c4c3nc(COCC)n4CC(C)(C)O)OCCOC(=O)N(C)CCN(C)C(=O)CCC(=O)Nc3nc4ccccc4c4c3nc(COCC)n4CC(C)(C)O)OCCOC(=O)N(C)CCN(C)C(=O)CCC(=O)Nc3nc4ccccc4c4c3nc(COCC)n4CC(C)(C)O)nc3ccccc3c2n1CC(C)(C)O.

What is the InChIKey of 2-[2-[2-[2-[[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-4-oxobutanoyl]-methylamino]ethyl-methylcarbamoyl]oxyethoxy]-3-[2-[2-[2-[[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-4-oxobutanoyl]-methylamino]ethyl-methylcarbamoyl]oxyethoxy]-3-[2-[2-[2-[[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-4-oxobutanoyl]-methylamino]ethyl-methylcarbamoyl]oxyethoxy]-3-methoxypropoxy]propoxy]propoxy]ethyl N-[2-[[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-4-oxobutanoyl]-methylamino]ethyl]-N-methylcarbamate?

The InChIKey is UERNVWIYWGNGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C122H174N24O31/c1-22-164-72-91-127-103-107(143(91)76-119(5,6)159)83-34-26-30-38-87(83)123-111(103)131-95(147)42-46-99(151)135(13)50-54-139(17)115(155)174-59-58-168-67-81(172-61-64-176-117(157)141(19)56-52-137(15)101(153)48-44-97(149)133-113-105-109(85-36-28-32-40-89(85)125-113)145(78-121(9,10)161)93(129-105)74-166-24-3)69-170-71-82(173-62-65-177-118(158)142(20)57-53-138(16)102(154)49-45-98(150)134-114-106-110(86-37-29-33-41-90(86)126-114)146(79-122(11,12)162)94(130-106)75-167-25-4)70-169-68-80(66-163-21)171-60-63-175-116(156)140(18)55-51-136(14)100(152)47-43-96(148)132-112-104-108(84-35-27-31-39-88(84)124-112)144(77-120(7,8)160)92(128-104)73-165-23-2/h26-41,80-82,159-162H,22-25,42-79H2,1-21H3,(H,123,131,147)(H,124,132,148)(H,125,133,149)(H,126,134,150).

What are the key properties of 2-[2-[2-[2-[[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-4-oxobutanoyl]-methylamino]ethyl-methylcarbamoyl]oxyethoxy]-3-[2-[2-[2-[[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-4-oxobutanoyl]-methylamino]ethyl-methylcarbamoyl]oxyethoxy]-3-[2-[2-[2-[[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-4-oxobutanoyl]-methylamino]ethyl-methylcarbamoyl]oxyethoxy]-3-methoxypropoxy]propoxy]propoxy]ethyl N-[2-[[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-4-oxobutanoyl]-methylamino]ethyl]-N-methylcarbamate?

2-[2-[2-[2-[[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-4-oxobutanoyl]-methylamino]ethyl-methylcarbamoyl]oxyethoxy]-3-[2-[2-[2-[[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-4-oxobutanoyl]-methylamino]ethyl-methylcarbamoyl]oxyethoxy]-3-[2-[2-[2-[[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-4-oxobutanoyl]-methylamino]ethyl-methylcarbamoyl]oxyethoxy]-3-methoxypropoxy]propoxy]propoxy]ethyl N-[2-[[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-4-oxobutanoyl]-methylamino]ethyl]-N-methylcarbamate has a molecular weight of 2472.87 g/mol, XLogP of 10.44, 75 rotatable bonds, 8 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[2-[[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-4-oxobutanoyl]-methylamino]ethyl-methylcarbamoyl]oxyethoxy]-3-[2-[2-[2-[[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-4-oxobutanoyl]-methylamino]ethyl-methylcarbamoyl]oxyethoxy]-3-[2-[2-[2-[[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-4-oxobutanoyl]-methylamino]ethyl-methylcarbamoyl]oxyethoxy]-3-methoxypropoxy]propoxy]propoxy]ethyl N-[2-[[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-4-oxobutanoyl]-methylamino]ethyl]-N-methylcarbamate is sourced from PubChem (CID 59172321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).