S-methyl 3-[2-[2-[2-[2-[2-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanethioate;S-methyl 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-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanethioate;S-methyl 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-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanethioate

C190H336N20O63S3 — CID 165025970

IUPACS-methyl 3-[2-[2-[2-[2-[2-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanethioate;S-methyl 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-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanethioate;S-methyl 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-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanethioate
SMILESCCCCc1nc2c([nH]1)c(N)nc1ccc(N3CCN(CCOCCN(CCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)SC)C(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)CC3)cc12.CCCCc1nc2c([nH]1)c(N)nc1ccc(N3CCN(CCOCCN(CCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)SC)C(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)CC3)cc12.CCCCc1nc2c([nH]1)c(N)nc1ccc(N3CCN(CCOCCOCCOCCOCCOCCOCCC(=O)SC)CC3)cc12
InChIInChI=1S/C92H169N7O35S.C64H113N7O21S.C34H54N6O7S/c1-4-5-6-87-95-90-85-83-84(7-8-86(85)94-92(93)91(90)96-87)98-13-11-97(12-14-98)15-20-105-21-16-99(17-22-106-27-30-110-35-38-114-43-46-118-51-49-117-45-42-113-37-34-109-29-26-104-19-10-89(101)135-3)88(100)9-18-103-25-28-108-33-36-112-41-44-116-50-52-120-55-56-122-59-60-124-63-64-126-67-68-128-71-72-130-75-76-132-79-80-134-82-81-133-78-77-131-74-73-129-70-69-127-66-65-125-62-61-123-58-57-121-54-53-119-48-47-115-40-39-111-32-31-107-24-23-102-2;1-4-5-6-59-67-62-57-55-56(7-8-58(57)66-64(65)63(62)68-59)70-13-11-69(12-14-70)15-20-77-21-16-71(17-22-78-27-30-82-35-38-86-43-46-90-51-49-89-45-42-85-37-34-81-29-26-76-19-10-61(73)93-3)60(72)9-18-75-25-28-80-33-36-84-41-44-88-50-52-92-54-53-91-48-47-87-40-39-83-32-31-79-24-23-74-2;1-3-4-5-30-37-32-28-26-27(6-7-29(28)36-34(35)33(32)38-30)40-11-9-39(10-12-40)13-15-43-17-19-45-21-23-47-25-24-46-22-20-44-18-16-42-14-8-31(41)48-2/h7-8,83H,4-6,9-82H2,1-3H3,(H2,93,94)(H,95,96);7-8,55H,4-6,9-54H2,1-3H3,(H2,65,66)(H,67,68);6-7,26H,3-5,8-25H2,1-2H3,(H2,35,36)(H,37,38)
InChIKeyLWUMVYWHCABSGB-UHFFFAOYSA-N
MW4005.06 g/mol
LogP10.97
Rot. Bonds201

About S-methyl 3-[2-[2-[2-[2-[2-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanethioate;S-methyl 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-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanethioate;S-methyl 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-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanethioate

S-methyl 3-[2-[2-[2-[2-[2-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanethioate;S-methyl 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-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanethioate;S-methyl 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-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanethioate (PubChem CID 165025970) has the molecular formula C190H336N20O63S3 and a molecular weight of 4005.06 g/mol. Its IUPAC name is S-methyl 3-[2-[2-[2-[2-[2-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanethioate;S-methyl 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-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanethioate;S-methyl 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-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanethioate.

Molecular Properties

Compound NameS-methyl 3-[2-[2-[2-[2-[2-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanethioate;S-methyl 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-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanethioate;S-methyl 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-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanethioate
PubChem CID165025970
Molecular FormulaC190H336N20O63S3
Molecular Weight4005.06 g/mol
Exact Mass4002.29
IUPAC NameS-methyl 3-[2-[2-[2-[2-[2-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanethioate;S-methyl 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-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanethioate;S-methyl 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-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanethioate
SMILESCCCCc1nc2c([nH]1)c(N)nc1ccc(N3CCN(CCOCCN(CCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)SC)C(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)CC3)cc12.CCCCc1nc2c([nH]1)c(N)nc1ccc(N3CCN(CCOCCN(CCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)SC)C(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)CC3)cc12.CCCCc1nc2c([nH]1)c(N)nc1ccc(N3CCN(CCOCCOCCOCCOCCOCCOCCC(=O)SC)CC3)cc12
InChIInChI=1S/C92H169N7O35S.C64H113N7O21S.C34H54N6O7S/c1-4-5-6-87-95-90-85-83-84(7-8-86(85)94-92(93)91(90)96-87)98-13-11-97(12-14-98)15-20-105-21-16-99(17-22-106-27-30-110-35-38-114-43-46-118-51-49-117-45-42-113-37-34-109-29-26-104-19-10-89(101)135-3)88(100)9-18-103-25-28-108-33-36-112-41-44-116-50-52-120-55-56-122-59-60-124-63-64-126-67-68-128-71-72-130-75-76-132-79-80-134-82-81-133-78-77-131-74-73-129-70-69-127-66-65-125-62-61-123-58-57-121-54-53-119-48-47-115-40-39-111-32-31-107-24-23-102-2;1-4-5-6-59-67-62-57-55-56(7-8-58(57)66-64(65)63(62)68-59)70-13-11-69(12-14-70)15-20-77-21-16-71(17-22-78-27-30-82-35-38-86-43-46-90-51-49-89-45-42-85-37-34-81-29-26-76-19-10-61(73)93-3)60(72)9-18-75-25-28-80-33-36-84-41-44-88-50-52-92-54-53-91-48-47-87-40-39-83-32-31-79-24-23-74-2;1-3-4-5-30-37-32-28-26-27(6-7-29(28)36-34(35)33(32)38-30)40-11-9-39(10-12-40)13-15-43-17-19-45-21-23-47-25-24-46-22-20-44-18-16-42-14-8-31(41)48-2/h7-8,83H,4-6,9-82H2,1-3H3,(H2,93,94)(H,95,96);7-8,55H,4-6,9-54H2,1-3H3,(H2,65,66)(H,67,68);6-7,26H,3-5,8-25H2,1-2H3,(H2,35,36)(H,37,38)
InChIKeyLWUMVYWHCABSGB-UHFFFAOYSA-N
XLogP10.97
TPSA849.38 Ų
H-Bond Donors6
H-Bond Acceptors81
Rotatable Bonds201
Heavy Atoms276
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004005.06
LogP ≤ 510.97
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1081

Computed Properties (RDKit)

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

Analyze S-methyl 3-[2-[2-[2-[2-[2-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanethioate;S-methyl 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-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanethioate;S-methyl 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-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanethioate with MolForge

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Launch Full Analysis

Related Compounds

S-methyl 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-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanethioate
CID 165025973
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
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
CID 164771429
4-[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]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one;(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 163921601
tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(4-amino-2-butyl-3H-benzo[e]benzimidazol-8-yl)piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 156687206
S-methyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)pentyl-methylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanethioate
CID 164973843
5-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)pentyl-dimethyl-[2-(3-methylsulfanyl-3-oxopropoxy)ethyl]azanium
CID 164970618
3-[2-[2-[2-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]-N-[5-amino-7-(1-methylcyclooctyl)-6-oxooctyl]propanamide
CID 167298565
3-[3-[[(2S)-1-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]-1-oxopropan-2-yl]amino]-3-oxopropoxy]propanoic acid
CID 164771437
3-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)piperazin-1-yl]ethoxy]propanoic acid;methane;2,3,5,6-tetrafluorophenol;(2,3,5,6-tetrafluorophenyl) 3-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)piperazin-1-yl]ethoxy]propanoate
CID 164997416
tert-butyl 3-[1-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]-2-methylpropan-2-yl]oxy-3-methylbutanoate
CID 167068968
4-[3-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]-2,2-dimethylpropoxy]-3,3-dimethylbutanal
CID 155696822

Frequently Asked Questions

What is the IUPAC name of S-methyl 3-[2-[2-[2-[2-[2-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanethioate;S-methyl 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-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanethioate;S-methyl 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-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanethioate?
The IUPAC name of S-methyl 3-[2-[2-[2-[2-[2-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanethioate;S-methyl 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-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanethioate;S-methyl 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-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanethioate (CID 165025970) is S-methyl 3-[2-[2-[2-[2-[2-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanethioate;S-methyl 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-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanethioate;S-methyl 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-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanethioate.
What is the SMILES notation for S-methyl 3-[2-[2-[2-[2-[2-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanethioate;S-methyl 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-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanethioate;S-methyl 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-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanethioate?
The canonical SMILES for S-methyl 3-[2-[2-[2-[2-[2-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanethioate;S-methyl 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-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanethioate;S-methyl 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-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanethioate is CCCCc1nc2c([nH]1)c(N)nc1ccc(N3CCN(CCOCCN(CCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)SC)C(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)CC3)cc12.CCCCc1nc2c([nH]1)c(N)nc1ccc(N3CCN(CCOCCN(CCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)SC)C(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)CC3)cc12.CCCCc1nc2c([nH]1)c(N)nc1ccc(N3CCN(CCOCCOCCOCCOCCOCCOCCC(=O)SC)CC3)cc12.
What is the InChIKey of S-methyl 3-[2-[2-[2-[2-[2-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanethioate;S-methyl 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-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanethioate;S-methyl 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-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanethioate?
The InChIKey is LWUMVYWHCABSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H169N7O35S.C64H113N7O21S.C34H54N6O7S/c1-4-5-6-87-95-90-85-83-84(7-8-86(85)94-92(93)91(90)96-87)98-13-11-97(12-14-98)15-20-105-21-16-99(17-22-106-27-30-110-35-38-114-43-46-118-51-49-117-45-42-113-37-34-109-29-26-104-19-10-89(101)135-3)88(100)9-18-103-25-28-108-33-36-112-41-44-116-50-52-120-55-56-122-59-60-124-63-64-126-67-68-128-71-72-130-75-76-132-79-80-134-82-81-133-78-77-131-74-73-129-70-69-127-66-65-125-62-61-123-58-57-121-54-53-119-48-47-115-40-39-111-32-31-107-24-23-102-2;1-4-5-6-59-67-62-57-55-56(7-8-58(57)66-64(65)63(62)68-59)70-13-11-69(12-14-70)15-20-77-21-16-71(17-22-78-27-30-82-35-38-86-43-46-90-51-49-89-45-42-85-37-34-81-29-26-76-19-10-61(73)93-3)60(72)9-18-75-25-28-80-33-36-84-41-44-88-50-52-92-54-53-91-48-47-87-40-39-83-32-31-79-24-23-74-2;1-3-4-5-30-37-32-28-26-27(6-7-29(28)36-34(35)33(32)38-30)40-11-9-39(10-12-40)13-15-43-17-19-45-21-23-47-25-24-46-22-20-44-18-16-42-14-8-31(41)48-2/h7-8,83H,4-6,9-82H2,1-3H3,(H2,93,94)(H,95,96);7-8,55H,4-6,9-54H2,1-3H3,(H2,65,66)(H,67,68);6-7,26H,3-5,8-25H2,1-2H3,(H2,35,36)(H,37,38).
What are the key properties of S-methyl 3-[2-[2-[2-[2-[2-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanethioate;S-methyl 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-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanethioate;S-methyl 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-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanethioate?
S-methyl 3-[2-[2-[2-[2-[2-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanethioate;S-methyl 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-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanethioate;S-methyl 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-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanethioate has a molecular weight of 4005.06 g/mol, XLogP of 10.97, 201 rotatable bonds, 6 hydrogen bond donors, and 81 hydrogen bond acceptors.
Where does this data come from?
All data for S-methyl 3-[2-[2-[2-[2-[2-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanethioate;S-methyl 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-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanethioate;S-methyl 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-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanethioate is sourced from PubChem (CID 165025970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).