[3-[2-[3-[[2-[2-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-2-oxoethoxy]acetyl]oxymethyl]cyclohexyl]oxypropan-2-yloxy]cyclohexyl]methyl 2-[2-[[2-ethyl-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-2-oxoethoxy]acetate;4-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]morpholine-3,5-dione;[3-[2-(3-ethylcyclohexyl)oxypropan-2-yloxy]cyclohexyl]methanol;[4-(hydroxymethyl)cyclohexyl]methanol;[3-[2-[3-(hydroxymethyl)cyclohexyl]oxypropan-2-yloxy]cyclohexyl]methanol;2-methoxy-2-methylpropan-1-ol

C127H196N12O29 — CID 157083515

About [3-[2-[3-[[2-[2-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-2-oxoethoxy]acetyl]oxymethyl]cyclohexyl]oxypropan-2-yloxy]cyclohexyl]methyl 2-[2-[[2-ethyl-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-2-oxoethoxy]acetate;4-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]morpholine-3,5-dione;[3-[2-(3-ethylcyclohexyl)oxypropan-2-yloxy]cyclohexyl]methanol;[4-(hydroxymethyl)cyclohexyl]methanol;[3-[2-[3-(hydroxymethyl)cyclohexyl]oxypropan-2-yloxy]cyclohexyl]methanol;2-methoxy-2-methylpropan-1-ol

[3-[2-[3-[[2-[2-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-2-oxoethoxy]acetyl]oxymethyl]cyclohexyl]oxypropan-2-yloxy]cyclohexyl]methyl 2-[2-[[2-ethyl-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-2-oxoethoxy]acetate;4-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]morpholine-3,5-dione;[3-[2-(3-ethylcyclohexyl)oxypropan-2-yloxy]cyclohexyl]methanol;[4-(hydroxymethyl)cyclohexyl]methanol;[3-[2-[3-(hydroxymethyl)cyclohexyl]oxypropan-2-yloxy]cyclohexyl]methanol;2-methoxy-2-methylpropan-1-ol (PubChem CID 157083515) has the molecular formula C127H196N12O29 and a molecular weight of 2355.02 g/mol. Its IUPAC name is [3-[2-[3-[[2-[2-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-2-oxoethoxy]acetyl]oxymethyl]cyclohexyl]oxypropan-2-yloxy]cyclohexyl]methyl 2-[2-[[2-ethyl-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-2-oxoethoxy]acetate;4-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]morpholine-3,5-dione;[3-[2-(3-ethylcyclohexyl)oxypropan-2-yloxy]cyclohexyl]methanol;[4-(hydroxymethyl)cyclohexyl]methanol;[3-[2-[3-(hydroxymethyl)cyclohexyl]oxypropan-2-yloxy]cyclohexyl]methanol;2-methoxy-2-methylpropan-1-ol.

Molecular Properties

• Compound Name: [3-[2-[3-[[2-[2-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-2-oxoethoxy]acetyl]oxymethyl]cyclohexyl]oxypropan-2-yloxy]cyclohexyl]methyl 2-[2-[[2-ethyl-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-2-oxoethoxy]acetate;4-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]morpholine-3,5-dione;[3-[2-(3-ethylcyclohexyl)oxypropan-2-yloxy]cyclohexyl]methanol;[4-(hydroxymethyl)cyclohexyl]methanol;[3-[2-[3-(hydroxymethyl)cyclohexyl]oxypropan-2-yloxy]cyclohexyl]methanol;2-methoxy-2-methylpropan-1-ol
• PubChem CID: 157083515
• Molecular Formula: C127H196N12O29
• Molecular Weight: 2355.02 g/mol
• Exact Mass: 2353.42
• IUPAC Name: [3-[2-[3-[[2-[2-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-2-oxoethoxy]acetyl]oxymethyl]cyclohexyl]oxypropan-2-yloxy]cyclohexyl]methyl 2-[2-[[2-ethyl-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-2-oxoethoxy]acetate;4-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]morpholine-3,5-dione;[3-[2-(3-ethylcyclohexyl)oxypropan-2-yloxy]cyclohexyl]methanol;[4-(hydroxymethyl)cyclohexyl]methanol;[3-[2-[3-(hydroxymethyl)cyclohexyl]oxypropan-2-yloxy]cyclohexyl]methanol;2-methoxy-2-methylpropan-1-ol
• SMILES: CC(C)(OC1CCCC(CO)C1)OC1CCCC(CO)C1.CCC1CCCC(OC(C)(C)OC2CCCC(CO)C2)C1.CCOCc1nc2c(N3C(=O)COCC3=O)nc3ccccc3c2n1CC(C)(C)O.CCOCc1nc2c(NC(=O)COCC(=O)OCC3CCCC(OC(C)(C)OC4CCCC(COC(=O)COCC(=O)Nc5nc6ccccc6c6c5nc(CC)n6CC(C)(C)O)C4)C3)nc3ccccc3c2n1CC(C)(C)O.COC(C)(C)CO.OCC1CCC(CO)CC1
• InChI: InChI=1S/C58H78N8O13.C21H24N4O5.C18H34O3.C17H32O4.C8H16O2.C5H12O2/c1-9-44-61-50-52(65(44)34-56(3,4)71)40-21-11-13-23-42(40)59-54(50)63-46(67)30-74-32-48(69)76-27-36-17-15-19-38(25-36)78-58(7,8)79-39-20-16-18-37(26-39)28-77-49(70)33-75-31-47(68)64-55-51-53(41-22-12-14-24-43(41)60-55)66(35-57(5,6)72)45(62-51)29-73-10-2;1-4-29-9-15-23-18-19(24(15)12-21(2,3)28)13-7-5-6-8-14(13)22-20(18)25-16(26)10-30-11-17(25)27;1-4-14-7-5-9-16(11-14)20-18(2,3)21-17-10-6-8-15(12-17)13-19;1-17(2,20-15-7-3-5-13(9-15)11-18)21-16-8-4-6-14(10-16)12-19;9-5-7-1-2-8(6-10)4-3-7;1-5(2,4-6)7-3/h11-14,21-24,36-39,71-72H,9-10,15-20,25-35H2,1-8H3,(H,59,63,67)(H,60,64,68);5-8,28H,4,9-12H2,1-3H3;14-17,19H,4-13H2,1-3H3;13-16,18-19H,3-12H2,1-2H3;7-10H,1-6H2;6H,4H2,1-3H3
• InChIKey: ADVBZGPCWHYYBE-UHFFFAOYSA-N
• XLogP: 17.80
• TPSA: 533.14 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 38
• Rotatable Bonds: 48
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2355.02
LogP ≤ 5	17.80
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3-[2-[3-[[2-[2-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-2-oxoethoxy]acetyl]oxymethyl]cyclohexyl]oxypropan-2-yloxy]cyclohexyl]methyl 2-[2-[[2-ethyl-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-2-oxoethoxy]acetate;4-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]morpholine-3,5-dione;[3-[2-(3-ethylcyclohexyl)oxypropan-2-yloxy]cyclohexyl]methanol;[4-(hydroxymethyl)cyclohexyl]methanol;[3-[2-[3-(hydroxymethyl)cyclohexyl]oxypropan-2-yloxy]cyclohexyl]methanol;2-methoxy-2-methylpropan-1-ol?

The IUPAC name of [3-[2-[3-[[2-[2-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-2-oxoethoxy]acetyl]oxymethyl]cyclohexyl]oxypropan-2-yloxy]cyclohexyl]methyl 2-[2-[[2-ethyl-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-2-oxoethoxy]acetate;4-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]morpholine-3,5-dione;[3-[2-(3-ethylcyclohexyl)oxypropan-2-yloxy]cyclohexyl]methanol;[4-(hydroxymethyl)cyclohexyl]methanol;[3-[2-[3-(hydroxymethyl)cyclohexyl]oxypropan-2-yloxy]cyclohexyl]methanol;2-methoxy-2-methylpropan-1-ol (CID 157083515) is [3-[2-[3-[[2-[2-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-2-oxoethoxy]acetyl]oxymethyl]cyclohexyl]oxypropan-2-yloxy]cyclohexyl]methyl 2-[2-[[2-ethyl-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-2-oxoethoxy]acetate;4-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]morpholine-3,5-dione;[3-[2-(3-ethylcyclohexyl)oxypropan-2-yloxy]cyclohexyl]methanol;[4-(hydroxymethyl)cyclohexyl]methanol;[3-[2-[3-(hydroxymethyl)cyclohexyl]oxypropan-2-yloxy]cyclohexyl]methanol;2-methoxy-2-methylpropan-1-ol.

What is the SMILES notation for [3-[2-[3-[[2-[2-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-2-oxoethoxy]acetyl]oxymethyl]cyclohexyl]oxypropan-2-yloxy]cyclohexyl]methyl 2-[2-[[2-ethyl-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-2-oxoethoxy]acetate;4-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]morpholine-3,5-dione;[3-[2-(3-ethylcyclohexyl)oxypropan-2-yloxy]cyclohexyl]methanol;[4-(hydroxymethyl)cyclohexyl]methanol;[3-[2-[3-(hydroxymethyl)cyclohexyl]oxypropan-2-yloxy]cyclohexyl]methanol;2-methoxy-2-methylpropan-1-ol?

The canonical SMILES for [3-[2-[3-[[2-[2-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-2-oxoethoxy]acetyl]oxymethyl]cyclohexyl]oxypropan-2-yloxy]cyclohexyl]methyl 2-[2-[[2-ethyl-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-2-oxoethoxy]acetate;4-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]morpholine-3,5-dione;[3-[2-(3-ethylcyclohexyl)oxypropan-2-yloxy]cyclohexyl]methanol;[4-(hydroxymethyl)cyclohexyl]methanol;[3-[2-[3-(hydroxymethyl)cyclohexyl]oxypropan-2-yloxy]cyclohexyl]methanol;2-methoxy-2-methylpropan-1-ol is CC(C)(OC1CCCC(CO)C1)OC1CCCC(CO)C1.CCC1CCCC(OC(C)(C)OC2CCCC(CO)C2)C1.CCOCc1nc2c(N3C(=O)COCC3=O)nc3ccccc3c2n1CC(C)(C)O.CCOCc1nc2c(NC(=O)COCC(=O)OCC3CCCC(OC(C)(C)OC4CCCC(COC(=O)COCC(=O)Nc5nc6ccccc6c6c5nc(CC)n6CC(C)(C)O)C4)C3)nc3ccccc3c2n1CC(C)(C)O.COC(C)(C)CO.OCC1CCC(CO)CC1.

What is the InChIKey of [3-[2-[3-[[2-[2-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-2-oxoethoxy]acetyl]oxymethyl]cyclohexyl]oxypropan-2-yloxy]cyclohexyl]methyl 2-[2-[[2-ethyl-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-2-oxoethoxy]acetate;4-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]morpholine-3,5-dione;[3-[2-(3-ethylcyclohexyl)oxypropan-2-yloxy]cyclohexyl]methanol;[4-(hydroxymethyl)cyclohexyl]methanol;[3-[2-[3-(hydroxymethyl)cyclohexyl]oxypropan-2-yloxy]cyclohexyl]methanol;2-methoxy-2-methylpropan-1-ol?

The InChIKey is ADVBZGPCWHYYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H78N8O13.C21H24N4O5.C18H34O3.C17H32O4.C8H16O2.C5H12O2/c1-9-44-61-50-52(65(44)34-56(3,4)71)40-21-11-13-23-42(40)59-54(50)63-46(67)30-74-32-48(69)76-27-36-17-15-19-38(25-36)78-58(7,8)79-39-20-16-18-37(26-39)28-77-49(70)33-75-31-47(68)64-55-51-53(41-22-12-14-24-43(41)60-55)66(35-57(5,6)72)45(62-51)29-73-10-2;1-4-29-9-15-23-18-19(24(15)12-21(2,3)28)13-7-5-6-8-14(13)22-20(18)25-16(26)10-30-11-17(25)27;1-4-14-7-5-9-16(11-14)20-18(2,3)21-17-10-6-8-15(12-17)13-19;1-17(2,20-15-7-3-5-13(9-15)11-18)21-16-8-4-6-14(10-16)12-19;9-5-7-1-2-8(6-10)4-3-7;1-5(2,4-6)7-3/h11-14,21-24,36-39,71-72H,9-10,15-20,25-35H2,1-8H3,(H,59,63,67)(H,60,64,68);5-8,28H,4,9-12H2,1-3H3;14-17,19H,4-13H2,1-3H3;13-16,18-19H,3-12H2,1-2H3;7-10H,1-6H2;6H,4H2,1-3H3.

What are the key properties of [3-[2-[3-[[2-[2-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-2-oxoethoxy]acetyl]oxymethyl]cyclohexyl]oxypropan-2-yloxy]cyclohexyl]methyl 2-[2-[[2-ethyl-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-2-oxoethoxy]acetate;4-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]morpholine-3,5-dione;[3-[2-(3-ethylcyclohexyl)oxypropan-2-yloxy]cyclohexyl]methanol;[4-(hydroxymethyl)cyclohexyl]methanol;[3-[2-[3-(hydroxymethyl)cyclohexyl]oxypropan-2-yloxy]cyclohexyl]methanol;2-methoxy-2-methylpropan-1-ol?

[3-[2-[3-[[2-[2-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-2-oxoethoxy]acetyl]oxymethyl]cyclohexyl]oxypropan-2-yloxy]cyclohexyl]methyl 2-[2-[[2-ethyl-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-2-oxoethoxy]acetate;4-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]morpholine-3,5-dione;[3-[2-(3-ethylcyclohexyl)oxypropan-2-yloxy]cyclohexyl]methanol;[4-(hydroxymethyl)cyclohexyl]methanol;[3-[2-[3-(hydroxymethyl)cyclohexyl]oxypropan-2-yloxy]cyclohexyl]methanol;2-methoxy-2-methylpropan-1-ol has a molecular weight of 2355.02 g/mol, XLogP of 17.80, 48 rotatable bonds, 11 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[2-[3-[[2-[2-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-2-oxoethoxy]acetyl]oxymethyl]cyclohexyl]oxypropan-2-yloxy]cyclohexyl]methyl 2-[2-[[2-ethyl-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-2-oxoethoxy]acetate;4-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]morpholine-3,5-dione;[3-[2-(3-ethylcyclohexyl)oxypropan-2-yloxy]cyclohexyl]methanol;[4-(hydroxymethyl)cyclohexyl]methanol;[3-[2-[3-(hydroxymethyl)cyclohexyl]oxypropan-2-yloxy]cyclohexyl]methanol;2-methoxy-2-methylpropan-1-ol is sourced from PubChem (CID 157083515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).