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-hydroxypropoxy]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

C121H172N24O31 — CID 59172323

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-hydroxypropoxy]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-hydroxypropoxy]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 59172323) has the molecular formula C121H172N24O31 and a molecular weight of 2458.84 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-hydroxypropoxy]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-hydroxypropoxy]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: 59172323
• Molecular Formula: C121H172N24O31
• Molecular Weight: 2458.84 g/mol
• Exact Mass: 2457.26
• 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-hydroxypropoxy]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(CO)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/C121H172N24O31/c1-21-163-71-90-126-102-106(142(90)75-118(5,6)159)82-33-25-29-37-86(82)122-110(102)130-94(147)41-45-98(151)134(13)49-53-138(17)114(155)173-58-57-167-67-80(171-60-63-175-116(157)140(19)55-51-136(15)100(153)47-43-96(149)132-112-104-108(84-35-27-31-39-88(84)124-112)144(77-120(9,10)161)92(128-104)73-165-23-3)68-169-70-81(172-61-64-176-117(158)141(20)56-52-137(16)101(154)48-44-97(150)133-113-105-109(85-36-28-32-40-89(85)125-113)145(78-121(11,12)162)93(129-105)74-166-24-4)69-168-66-79(65-146)170-59-62-174-115(156)139(18)54-50-135(14)99(152)46-42-95(148)131-111-103-107(83-34-26-30-38-87(83)123-111)143(76-119(7,8)160)91(127-103)72-164-22-2/h25-40,79-81,146,159-162H,21-24,41-78H2,1-20H3,(H,122,130,147)(H,123,131,148)(H,124,132,149)(H,125,133,150)
• InChIKey: NFXVGWGFKNHNEK-UHFFFAOYSA-N
• XLogP: 9.79
• TPSA: 632.09 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 43
• Rotatable Bonds: 74
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2458.84
LogP ≤ 5	9.79
H-Bond Donors ≤ 5	9
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-hydroxypropoxy]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-hydroxypropoxy]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 59172323) 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-hydroxypropoxy]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-hydroxypropoxy]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-hydroxypropoxy]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(CO)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-hydroxypropoxy]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 NFXVGWGFKNHNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C121H172N24O31/c1-21-163-71-90-126-102-106(142(90)75-118(5,6)159)82-33-25-29-37-86(82)122-110(102)130-94(147)41-45-98(151)134(13)49-53-138(17)114(155)173-58-57-167-67-80(171-60-63-175-116(157)140(19)55-51-136(15)100(153)47-43-96(149)132-112-104-108(84-35-27-31-39-88(84)124-112)144(77-120(9,10)161)92(128-104)73-165-23-3)68-169-70-81(172-61-64-176-117(158)141(20)56-52-137(16)101(154)48-44-97(150)133-113-105-109(85-36-28-32-40-89(85)125-113)145(78-121(11,12)162)93(129-105)74-166-24-4)69-168-66-79(65-146)170-59-62-174-115(156)139(18)54-50-135(14)99(152)46-42-95(148)131-111-103-107(83-34-26-30-38-87(83)123-111)143(76-119(7,8)160)91(127-103)72-164-22-2/h25-40,79-81,146,159-162H,21-24,41-78H2,1-20H3,(H,122,130,147)(H,123,131,148)(H,124,132,149)(H,125,133,150).

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-hydroxypropoxy]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-hydroxypropoxy]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 2458.84 g/mol, XLogP of 9.79, 74 rotatable bonds, 9 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-hydroxypropoxy]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 59172323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).