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

C71H102F4N12O14 — CID 163921601

IUPAC4-[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
SMILESCCCCc1nc2c([nH]1)c(N)nc1ccc(N3CCN(CCOCCC(=O)Oc4c(F)c(F)cc(F)c4F)CC3)cc12.CCCCc1nc2c([nH]1)c(N)nc1ccc(N3CCN(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(C)=O)CC3)cc12
InChIInChI=1S/C42H70N6O11.C29H32F4N6O3/c1-3-4-5-39-45-40-37-34-36(6-7-38(37)44-42(43)41(40)46-39)48-11-9-47(10-12-48)13-15-51-17-19-53-21-23-55-25-27-57-29-31-59-33-32-58-30-28-56-26-24-54-22-20-52-18-16-50-14-8-35(2)49;1-2-3-4-22-36-26-18-15-17(5-6-21(18)35-29(34)27(26)37-22)39-10-8-38(9-11-39)12-14-41-13-7-23(40)42-28-24(32)19(30)16-20(31)25(28)33/h6-7,34H,3-5,8-33H2,1-2H3,(H2,43,44)(H,45,46);5-6,15-16H,2-4,7-14H2,1H3,(H2,34,35)(H,36,37)
InChIKeyRAWHFZTVQGILNV-UHFFFAOYSA-N
MW1423.66 g/mol
LogP8.03
Rot. Bonds48

About 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

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 (PubChem CID 163921601) has the molecular formula C71H102F4N12O14 and a molecular weight of 1423.66 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID163921601
Molecular FormulaC71H102F4N12O14
Molecular Weight1423.66 g/mol
Exact Mass1422.76
IUPAC Name4-[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
SMILESCCCCc1nc2c([nH]1)c(N)nc1ccc(N3CCN(CCOCCC(=O)Oc4c(F)c(F)cc(F)c4F)CC3)cc12.CCCCc1nc2c([nH]1)c(N)nc1ccc(N3CCN(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(C)=O)CC3)cc12
InChIInChI=1S/C42H70N6O11.C29H32F4N6O3/c1-3-4-5-39-45-40-37-34-36(6-7-38(37)44-42(43)41(40)46-39)48-11-9-47(10-12-48)13-15-51-17-19-53-21-23-55-25-27-57-29-31-59-33-32-58-30-28-56-26-24-54-22-20-52-18-16-50-14-8-35(2)49;1-2-3-4-22-36-26-18-15-17(5-6-21(18)35-29(34)27(26)37-22)39-10-8-38(9-11-39)12-14-41-13-7-23(40)42-28-24(32)19(30)16-20(31)25(28)33/h6-7,34H,3-5,8-33H2,1-2H3,(H2,43,44)(H,45,46);5-6,15-16H,2-4,7-14H2,1H3,(H2,34,35)(H,36,37)
InChIKeyRAWHFZTVQGILNV-UHFFFAOYSA-N
XLogP8.03
TPSA293.04 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds48
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001423.66
LogP ≤ 58.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCc1nc2c([nH]1)c(N)nc1ccc(N3CCN(CCOCCC(=O)Oc4c(F)c(F)cc(F)c4F)CC3)cc12.CCCCc1nc2c([nH]1)c(N)nc1ccc(N3CCN(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(C)=O)CC3)cc12.
What is the InChIKey of 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?
The InChIKey is RAWHFZTVQGILNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H70N6O11.C29H32F4N6O3/c1-3-4-5-39-45-40-37-34-36(6-7-38(37)44-42(43)41(40)46-39)48-11-9-47(10-12-48)13-15-51-17-19-53-21-23-55-25-27-57-29-31-59-33-32-58-30-28-56-26-24-54-22-20-52-18-16-50-14-8-35(2)49;1-2-3-4-22-36-26-18-15-17(5-6-21(18)35-29(34)27(26)37-22)39-10-8-38(9-11-39)12-14-41-13-7-23(40)42-28-24(32)19(30)16-20(31)25(28)33/h6-7,34H,3-5,8-33H2,1-2H3,(H2,43,44)(H,45,46);5-6,15-16H,2-4,7-14H2,1H3,(H2,34,35)(H,36,37).
What are the key properties of 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?
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 has a molecular weight of 1423.66 g/mol, XLogP of 8.03, 48 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163921601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).