N-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]-4-[2-[3-[2-[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]butoxy]ethoxy]-2,2-bis[2-[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]butoxy]ethoxymethyl]propoxy]ethoxy]butanamide

C97H138N16O17 — CID 159799014

About N-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]-4-[2-[3-[2-[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]butoxy]ethoxy]-2,2-bis[2-[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]butoxy]ethoxymethyl]propoxy]ethoxy]butanamide

N-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]-4-[2-[3-[2-[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]butoxy]ethoxy]-2,2-bis[2-[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]butoxy]ethoxymethyl]propoxy]ethoxy]butanamide (PubChem CID 159799014) has the molecular formula C97H138N16O17 and a molecular weight of 1800.27 g/mol. Its IUPAC name is N-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]-4-[2-[3-[2-[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]butoxy]ethoxy]-2,2-bis[2-[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]butoxy]ethoxymethyl]propoxy]ethoxy]butanamide.

Molecular Properties

• Compound Name: N-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]-4-[2-[3-[2-[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]butoxy]ethoxy]-2,2-bis[2-[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]butoxy]ethoxymethyl]propoxy]ethoxy]butanamide
• PubChem CID: 159799014
• Molecular Formula: C97H138N16O17
• Molecular Weight: 1800.27 g/mol
• Exact Mass: 1799.04
• IUPAC Name: N-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]-4-[2-[3-[2-[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]butoxy]ethoxy]-2,2-bis[2-[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]butoxy]ethoxymethyl]propoxy]ethoxy]butanamide
• SMILES: CCOCc1nc2c(NCCCCOCCOCC(COCCOCCCCNc3nc4ccccc4c4c3nc(COCC)n4CC(C)(C)O)(COCCOCCCCNc3nc4ccccc4c4c3nc(COCC)n4CC(C)(C)O)COCCOCCCC(=O)Nc3nc4ccccc4c4c3nc(COCC)n4CC(C)(C)O)nc3ccccc3c2n1CC(C)(C)O
• InChI: InChI=1S/C97H138N16O17/c1-13-119-56-76-105-81-85(110(76)60-93(5,6)115)68-32-17-21-36-72(68)101-89(81)98-41-25-28-44-123-48-52-127-64-97(65-128-53-49-124-45-29-26-42-99-90-82-86(69-33-18-22-37-73(69)102-90)111(61-94(7,8)116)77(106-82)57-120-14-2,66-129-54-50-125-46-30-27-43-100-91-83-87(70-34-19-23-38-74(70)103-91)112(62-95(9,10)117)78(107-83)58-121-15-3)67-130-55-51-126-47-31-40-80(114)109-92-84-88(71-35-20-24-39-75(71)104-92)113(63-96(11,12)118)79(108-84)59-122-16-4/h17-24,32-39,115-118H,13-16,25-31,40-67H2,1-12H3,(H,98,101)(H,99,102)(H,100,103)(H,104,109,114)
• InChIKey: NJNVEZFHLIWAOQ-UHFFFAOYSA-N
• XLogP: 14.02
• TPSA: 379.71 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 32
• Rotatable Bonds: 63
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1800.27
LogP ≤ 5	14.02
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]-4-[2-[3-[2-[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]butoxy]ethoxy]-2,2-bis[2-[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]butoxy]ethoxymethyl]propoxy]ethoxy]butanamide?

The IUPAC name of N-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]-4-[2-[3-[2-[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]butoxy]ethoxy]-2,2-bis[2-[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]butoxy]ethoxymethyl]propoxy]ethoxy]butanamide (CID 159799014) is N-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]-4-[2-[3-[2-[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]butoxy]ethoxy]-2,2-bis[2-[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]butoxy]ethoxymethyl]propoxy]ethoxy]butanamide.

What is the SMILES notation for N-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]-4-[2-[3-[2-[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]butoxy]ethoxy]-2,2-bis[2-[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]butoxy]ethoxymethyl]propoxy]ethoxy]butanamide?

The canonical SMILES for N-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]-4-[2-[3-[2-[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]butoxy]ethoxy]-2,2-bis[2-[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]butoxy]ethoxymethyl]propoxy]ethoxy]butanamide is CCOCc1nc2c(NCCCCOCCOCC(COCCOCCCCNc3nc4ccccc4c4c3nc(COCC)n4CC(C)(C)O)(COCCOCCCCNc3nc4ccccc4c4c3nc(COCC)n4CC(C)(C)O)COCCOCCCC(=O)Nc3nc4ccccc4c4c3nc(COCC)n4CC(C)(C)O)nc3ccccc3c2n1CC(C)(C)O.

What is the InChIKey of N-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]-4-[2-[3-[2-[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]butoxy]ethoxy]-2,2-bis[2-[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]butoxy]ethoxymethyl]propoxy]ethoxy]butanamide?

The InChIKey is NJNVEZFHLIWAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C97H138N16O17/c1-13-119-56-76-105-81-85(110(76)60-93(5,6)115)68-32-17-21-36-72(68)101-89(81)98-41-25-28-44-123-48-52-127-64-97(65-128-53-49-124-45-29-26-42-99-90-82-86(69-33-18-22-37-73(69)102-90)111(61-94(7,8)116)77(106-82)57-120-14-2,66-129-54-50-125-46-30-27-43-100-91-83-87(70-34-19-23-38-74(70)103-91)112(62-95(9,10)117)78(107-83)58-121-15-3)67-130-55-51-126-47-31-40-80(114)109-92-84-88(71-35-20-24-39-75(71)104-92)113(63-96(11,12)118)79(108-84)59-122-16-4/h17-24,32-39,115-118H,13-16,25-31,40-67H2,1-12H3,(H,98,101)(H,99,102)(H,100,103)(H,104,109,114).

What are the key properties of N-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]-4-[2-[3-[2-[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]butoxy]ethoxy]-2,2-bis[2-[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]butoxy]ethoxymethyl]propoxy]ethoxy]butanamide?

N-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]-4-[2-[3-[2-[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]butoxy]ethoxy]-2,2-bis[2-[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]butoxy]ethoxymethyl]propoxy]ethoxy]butanamide has a molecular weight of 1800.27 g/mol, XLogP of 14.02, 63 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]-4-[2-[3-[2-[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]butoxy]ethoxy]-2,2-bis[2-[4-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]butoxy]ethoxymethyl]propoxy]ethoxy]butanamide is sourced from PubChem (CID 159799014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).