2-(ethoxymethyl)-9-[5-[[2-(ethoxymethyl)-9-[5-[[2-(ethoxymethyl)-1-methyl-9-piperidin-4-yloxyimidazo[4,5-c]quinolin-4-yl]amino]pyrrolidin-3-yl]oxy-1-methylimidazo[4,5-c]quinolin-4-yl]amino]oxolan-3-yl]oxy-1-methylimidazo[4,5-c]quinolin-4-amine

C55H66N14O7 — CID 146387159

About 2-(ethoxymethyl)-9-[5-[[2-(ethoxymethyl)-9-[5-[[2-(ethoxymethyl)-1-methyl-9-piperidin-4-yloxyimidazo[4,5-c]quinolin-4-yl]amino]pyrrolidin-3-yl]oxy-1-methylimidazo[4,5-c]quinolin-4-yl]amino]oxolan-3-yl]oxy-1-methylimidazo[4,5-c]quinolin-4-amine

2-(ethoxymethyl)-9-[5-[[2-(ethoxymethyl)-9-[5-[[2-(ethoxymethyl)-1-methyl-9-piperidin-4-yloxyimidazo[4,5-c]quinolin-4-yl]amino]pyrrolidin-3-yl]oxy-1-methylimidazo[4,5-c]quinolin-4-yl]amino]oxolan-3-yl]oxy-1-methylimidazo[4,5-c]quinolin-4-amine (PubChem CID 146387159) has the molecular formula C55H66N14O7 and a molecular weight of 1035.22 g/mol. Its IUPAC name is 2-(ethoxymethyl)-9-[5-[[2-(ethoxymethyl)-9-[5-[[2-(ethoxymethyl)-1-methyl-9-piperidin-4-yloxyimidazo[4,5-c]quinolin-4-yl]amino]pyrrolidin-3-yl]oxy-1-methylimidazo[4,5-c]quinolin-4-yl]amino]oxolan-3-yl]oxy-1-methylimidazo[4,5-c]quinolin-4-amine.

Molecular Properties

• Compound Name: 2-(ethoxymethyl)-9-[5-[[2-(ethoxymethyl)-9-[5-[[2-(ethoxymethyl)-1-methyl-9-piperidin-4-yloxyimidazo[4,5-c]quinolin-4-yl]amino]pyrrolidin-3-yl]oxy-1-methylimidazo[4,5-c]quinolin-4-yl]amino]oxolan-3-yl]oxy-1-methylimidazo[4,5-c]quinolin-4-amine
• PubChem CID: 146387159
• Molecular Formula: C55H66N14O7
• Molecular Weight: 1035.22 g/mol
• Exact Mass: 1034.52
• IUPAC Name: 2-(ethoxymethyl)-9-[5-[[2-(ethoxymethyl)-9-[5-[[2-(ethoxymethyl)-1-methyl-9-piperidin-4-yloxyimidazo[4,5-c]quinolin-4-yl]amino]pyrrolidin-3-yl]oxy-1-methylimidazo[4,5-c]quinolin-4-yl]amino]oxolan-3-yl]oxy-1-methylimidazo[4,5-c]quinolin-4-amine
• SMILES: CCOCc1nc2c(N)nc3cccc(OC4COC(Nc5nc6cccc(OC7CNC(Nc8nc9cccc(OC%10CCNCC%10)c9c9c8nc(COCC)n9C)C7)c6c6c5nc(COCC)n6C)C4)c3c2n1C
• InChI: InChI=1S/C55H66N14O7/c1-7-70-27-40-63-47-50(67(40)4)44-33(59-53(47)56)13-10-18-38(44)76-32-24-43(73-26-32)66-55-49-52(69(6)42(65-49)29-72-9-3)46-35(61-55)15-12-17-37(46)75-31-23-39(58-25-31)62-54-48-51(68(5)41(64-48)28-71-8-2)45-34(60-54)14-11-16-36(45)74-30-19-21-57-22-20-30/h10-18,30-32,39,43,57-58H,7-9,19-29H2,1-6H3,(H2,56,59)(H,60,62)(H,61,66)
• InChIKey: XCRJKBUACFITJL-UHFFFAOYSA-N
• XLogP: 7.10
• TPSA: 230.88 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 21
• Rotatable Bonds: 19
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1035.22
LogP ≤ 5	7.10
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-9-[5-[[2-(ethoxymethyl)-9-[5-[[2-(ethoxymethyl)-1-methyl-9-piperidin-4-yloxyimidazo[4,5-c]quinolin-4-yl]amino]pyrrolidin-3-yl]oxy-1-methylimidazo[4,5-c]quinolin-4-yl]amino]oxolan-3-yl]oxy-1-methylimidazo[4,5-c]quinolin-4-amine?

The IUPAC name of 2-(ethoxymethyl)-9-[5-[[2-(ethoxymethyl)-9-[5-[[2-(ethoxymethyl)-1-methyl-9-piperidin-4-yloxyimidazo[4,5-c]quinolin-4-yl]amino]pyrrolidin-3-yl]oxy-1-methylimidazo[4,5-c]quinolin-4-yl]amino]oxolan-3-yl]oxy-1-methylimidazo[4,5-c]quinolin-4-amine (CID 146387159) is 2-(ethoxymethyl)-9-[5-[[2-(ethoxymethyl)-9-[5-[[2-(ethoxymethyl)-1-methyl-9-piperidin-4-yloxyimidazo[4,5-c]quinolin-4-yl]amino]pyrrolidin-3-yl]oxy-1-methylimidazo[4,5-c]quinolin-4-yl]amino]oxolan-3-yl]oxy-1-methylimidazo[4,5-c]quinolin-4-amine.

What is the SMILES notation for 2-(ethoxymethyl)-9-[5-[[2-(ethoxymethyl)-9-[5-[[2-(ethoxymethyl)-1-methyl-9-piperidin-4-yloxyimidazo[4,5-c]quinolin-4-yl]amino]pyrrolidin-3-yl]oxy-1-methylimidazo[4,5-c]quinolin-4-yl]amino]oxolan-3-yl]oxy-1-methylimidazo[4,5-c]quinolin-4-amine?

The canonical SMILES for 2-(ethoxymethyl)-9-[5-[[2-(ethoxymethyl)-9-[5-[[2-(ethoxymethyl)-1-methyl-9-piperidin-4-yloxyimidazo[4,5-c]quinolin-4-yl]amino]pyrrolidin-3-yl]oxy-1-methylimidazo[4,5-c]quinolin-4-yl]amino]oxolan-3-yl]oxy-1-methylimidazo[4,5-c]quinolin-4-amine is CCOCc1nc2c(N)nc3cccc(OC4COC(Nc5nc6cccc(OC7CNC(Nc8nc9cccc(OC%10CCNCC%10)c9c9c8nc(COCC)n9C)C7)c6c6c5nc(COCC)n6C)C4)c3c2n1C.

What is the InChIKey of 2-(ethoxymethyl)-9-[5-[[2-(ethoxymethyl)-9-[5-[[2-(ethoxymethyl)-1-methyl-9-piperidin-4-yloxyimidazo[4,5-c]quinolin-4-yl]amino]pyrrolidin-3-yl]oxy-1-methylimidazo[4,5-c]quinolin-4-yl]amino]oxolan-3-yl]oxy-1-methylimidazo[4,5-c]quinolin-4-amine?

The InChIKey is XCRJKBUACFITJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H66N14O7/c1-7-70-27-40-63-47-50(67(40)4)44-33(59-53(47)56)13-10-18-38(44)76-32-24-43(73-26-32)66-55-49-52(69(6)42(65-49)29-72-9-3)46-35(61-55)15-12-17-37(46)75-31-23-39(58-25-31)62-54-48-51(68(5)41(64-48)28-71-8-2)45-34(60-54)14-11-16-36(45)74-30-19-21-57-22-20-30/h10-18,30-32,39,43,57-58H,7-9,19-29H2,1-6H3,(H2,56,59)(H,60,62)(H,61,66).

What are the key properties of 2-(ethoxymethyl)-9-[5-[[2-(ethoxymethyl)-9-[5-[[2-(ethoxymethyl)-1-methyl-9-piperidin-4-yloxyimidazo[4,5-c]quinolin-4-yl]amino]pyrrolidin-3-yl]oxy-1-methylimidazo[4,5-c]quinolin-4-yl]amino]oxolan-3-yl]oxy-1-methylimidazo[4,5-c]quinolin-4-amine?

2-(ethoxymethyl)-9-[5-[[2-(ethoxymethyl)-9-[5-[[2-(ethoxymethyl)-1-methyl-9-piperidin-4-yloxyimidazo[4,5-c]quinolin-4-yl]amino]pyrrolidin-3-yl]oxy-1-methylimidazo[4,5-c]quinolin-4-yl]amino]oxolan-3-yl]oxy-1-methylimidazo[4,5-c]quinolin-4-amine has a molecular weight of 1035.22 g/mol, XLogP of 7.10, 19 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(ethoxymethyl)-9-[5-[[2-(ethoxymethyl)-9-[5-[[2-(ethoxymethyl)-1-methyl-9-piperidin-4-yloxyimidazo[4,5-c]quinolin-4-yl]amino]pyrrolidin-3-yl]oxy-1-methylimidazo[4,5-c]quinolin-4-yl]amino]oxolan-3-yl]oxy-1-methylimidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 146387159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).