1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;(2,5-dioxopyrrolidin-1-yl) (4E)-6-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxy-1-methylcyclooct-4-ene-1-carboxylate;(2,5-dioxopyrrolidin-1-yl) (4E)-6-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]carbamoyloxy]-1-methylcyclooct-4-ene-1-carboxylate

C68H83N11O19 — CID 158915810

About 1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;(2,5-dioxopyrrolidin-1-yl) (4E)-6-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxy-1-methylcyclooct-4-ene-1-carboxylate;(2,5-dioxopyrrolidin-1-yl) (4E)-6-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]carbamoyloxy]-1-methylcyclooct-4-ene-1-carboxylate

1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;(2,5-dioxopyrrolidin-1-yl) (4E)-6-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxy-1-methylcyclooct-4-ene-1-carboxylate;(2,5-dioxopyrrolidin-1-yl) (4E)-6-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]carbamoyloxy]-1-methylcyclooct-4-ene-1-carboxylate (PubChem CID 158915810) has the molecular formula C68H83N11O19 and a molecular weight of 1358.47 g/mol. Its IUPAC name is 1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;(2,5-dioxopyrrolidin-1-yl) (4E)-6-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxy-1-methylcyclooct-4-ene-1-carboxylate;(2,5-dioxopyrrolidin-1-yl) (4E)-6-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]carbamoyloxy]-1-methylcyclooct-4-ene-1-carboxylate.

Molecular Properties

• Compound Name: 1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;(2,5-dioxopyrrolidin-1-yl) (4E)-6-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxy-1-methylcyclooct-4-ene-1-carboxylate;(2,5-dioxopyrrolidin-1-yl) (4E)-6-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]carbamoyloxy]-1-methylcyclooct-4-ene-1-carboxylate
• PubChem CID: 158915810
• Molecular Formula: C68H83N11O19
• Molecular Weight: 1358.47 g/mol
• Exact Mass: 1357.59
• IUPAC Name: 1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;(2,5-dioxopyrrolidin-1-yl) (4E)-6-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxy-1-methylcyclooct-4-ene-1-carboxylate;(2,5-dioxopyrrolidin-1-yl) (4E)-6-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]carbamoyloxy]-1-methylcyclooct-4-ene-1-carboxylate
• SMILES: CC1(C(=O)ON2C(=O)CCC2=O)CC/C=C\C(OC(=O)ON2C(=O)CCC2=O)CC1.CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O.CCOCc1nc2c(NC(=O)OC3/C=C\CCC(C)(C(=O)ON4C(=O)CCC4=O)CC3)nc3ccccc3c2n1CC(C)(C)O
• InChI: InChI=1S/C32H39N5O8.C19H22N2O9.C17H22N4O2/c1-5-43-18-23-34-26-27(36(23)19-31(2,3)42)21-11-6-7-12-22(21)33-28(26)35-30(41)44-20-10-8-9-16-32(4,17-15-20)29(40)45-37-24(38)13-14-25(37)39;1-19(17(26)29-20-13(22)5-6-14(20)23)10-3-2-4-12(9-11-19)28-18(27)30-21-15(24)7-8-16(21)25;1-4-23-9-13-20-14-15(21(13)10-17(2,3)22)11-7-5-6-8-12(11)19-16(14)18/h6-8,10-12,20,42H,5,9,13-19H2,1-4H3,(H,33,35,41);2,4,12H,3,5-11H2,1H3;5-8,22H,4,9-10H2,1-3H3,(H2,18,19)/b10-8-;4-2-
• InChIKey: JHFDWTZXLKJNLC-QBBAUVRDSA-N
• XLogP: 8.34
• TPSA: 384.96 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 18
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1358.47
LogP ≤ 5	8.34
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;(2,5-dioxopyrrolidin-1-yl) (4E)-6-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxy-1-methylcyclooct-4-ene-1-carboxylate;(2,5-dioxopyrrolidin-1-yl) (4E)-6-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]carbamoyloxy]-1-methylcyclooct-4-ene-1-carboxylate?

The IUPAC name of 1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;(2,5-dioxopyrrolidin-1-yl) (4E)-6-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxy-1-methylcyclooct-4-ene-1-carboxylate;(2,5-dioxopyrrolidin-1-yl) (4E)-6-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]carbamoyloxy]-1-methylcyclooct-4-ene-1-carboxylate (CID 158915810) is 1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;(2,5-dioxopyrrolidin-1-yl) (4E)-6-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxy-1-methylcyclooct-4-ene-1-carboxylate;(2,5-dioxopyrrolidin-1-yl) (4E)-6-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]carbamoyloxy]-1-methylcyclooct-4-ene-1-carboxylate.

What is the SMILES notation for 1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;(2,5-dioxopyrrolidin-1-yl) (4E)-6-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxy-1-methylcyclooct-4-ene-1-carboxylate;(2,5-dioxopyrrolidin-1-yl) (4E)-6-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]carbamoyloxy]-1-methylcyclooct-4-ene-1-carboxylate?

The canonical SMILES for 1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;(2,5-dioxopyrrolidin-1-yl) (4E)-6-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxy-1-methylcyclooct-4-ene-1-carboxylate;(2,5-dioxopyrrolidin-1-yl) (4E)-6-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]carbamoyloxy]-1-methylcyclooct-4-ene-1-carboxylate is CC1(C(=O)ON2C(=O)CCC2=O)CC/C=C\C(OC(=O)ON2C(=O)CCC2=O)CC1.CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O.CCOCc1nc2c(NC(=O)OC3/C=C\CCC(C)(C(=O)ON4C(=O)CCC4=O)CC3)nc3ccccc3c2n1CC(C)(C)O.

What is the InChIKey of 1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;(2,5-dioxopyrrolidin-1-yl) (4E)-6-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxy-1-methylcyclooct-4-ene-1-carboxylate;(2,5-dioxopyrrolidin-1-yl) (4E)-6-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]carbamoyloxy]-1-methylcyclooct-4-ene-1-carboxylate?

The InChIKey is JHFDWTZXLKJNLC-QBBAUVRDSA-N. The full InChI is InChI=1S/C32H39N5O8.C19H22N2O9.C17H22N4O2/c1-5-43-18-23-34-26-27(36(23)19-31(2,3)42)21-11-6-7-12-22(21)33-28(26)35-30(41)44-20-10-8-9-16-32(4,17-15-20)29(40)45-37-24(38)13-14-25(37)39;1-19(17(26)29-20-13(22)5-6-14(20)23)10-3-2-4-12(9-11-19)28-18(27)30-21-15(24)7-8-16(21)25;1-4-23-9-13-20-14-15(21(13)10-17(2,3)22)11-7-5-6-8-12(11)19-16(14)18/h6-8,10-12,20,42H,5,9,13-19H2,1-4H3,(H,33,35,41);2,4,12H,3,5-11H2,1H3;5-8,22H,4,9-10H2,1-3H3,(H2,18,19)/b10-8-;4-2-;.

What are the key properties of 1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;(2,5-dioxopyrrolidin-1-yl) (4E)-6-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxy-1-methylcyclooct-4-ene-1-carboxylate;(2,5-dioxopyrrolidin-1-yl) (4E)-6-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]carbamoyloxy]-1-methylcyclooct-4-ene-1-carboxylate?

1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;(2,5-dioxopyrrolidin-1-yl) (4E)-6-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxy-1-methylcyclooct-4-ene-1-carboxylate;(2,5-dioxopyrrolidin-1-yl) (4E)-6-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]carbamoyloxy]-1-methylcyclooct-4-ene-1-carboxylate has a molecular weight of 1358.47 g/mol, XLogP of 8.34, 18 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;(2,5-dioxopyrrolidin-1-yl) (4E)-6-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxy-1-methylcyclooct-4-ene-1-carboxylate;(2,5-dioxopyrrolidin-1-yl) (4E)-6-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]carbamoyloxy]-1-methylcyclooct-4-ene-1-carboxylate is sourced from PubChem (CID 158915810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).