4-[[4-amino-2-(ethoxymethyl)-3H-imidazo[4,5-c]quinolin-9-yl]oxy]-2-methylbutan-2-ol;1-[4-amino-2-(ethoxymethyl)-9-methoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-amino-9-methoxy-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-(4-amino-9-methoxy-2-propylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol;2-(ethoxymethyl)-9-methoxy-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-9-(3-methylbutoxy)-3H-imidazo[4,5-c]quinolin-4-amine
C108H144N24O15 — CID 158581645
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC4-[[4-amino-2-(ethoxymethyl)-3H-imidazo[4,5-c]quinolin-9-yl]oxy]-2-methylbutan-2-ol;1-[4-amino-2-(ethoxymethyl)-9-methoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-amino-9-methoxy-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-(4-amino-9-methoxy-2-propylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol;2-(ethoxymethyl)-9-methoxy-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-9-(3-methylbutoxy)-3H-imidazo[4,5-c]quinolin-4-amine
SMILESCCCc1nc2c(N)nc3cccc(OC)c3c2n1CC(C)(C)O.CCOCc1nc2c(N)nc3cccc(OC)c3c2n1CC(C)(C)O.CCOCc1nc2c(N)nc3cccc(OC)c3c2n1CC(C)C.CCOCc1nc2c([nH]1)c(N)nc1cccc(OCCC(C)(C)O)c12.CCOCc1nc2c([nH]1)c(N)nc1cccc(OCCC(C)C)c12.COCCc1nc2c(N)nc3cccc(OC)c3c2n1CC(C)(C)O
InChIInChI=1S/3C18H24N4O3.3C18H24N4O2/c1-18(2,23)10-22-13(8-9-24-3)21-15-16(22)14-11(20-17(15)19)6-5-7-12(14)25-4;1-5-25-9-13-21-15-16(22(13)10-18(2,3)23)14-11(20-17(15)19)7-6-8-12(14)24-4;1-4-24-10-13-21-15-14-11(20-17(19)16(15)22-13)6-5-7-12(14)25-9-8-18(2,3)23;1-5-24-10-14-21-16-17(22(14)9-11(2)3)15-12(20-18(16)19)7-6-8-13(15)23-4;1-5-7-13-21-15-16(22(13)10-18(2,3)23)14-11(20-17(15)19)8-6-9-12(14)24-4;1-4-23-10-14-21-16-15-12(20-18(19)17(16)22-14)6-5-7-13(15)24-9-8-11(2)3/h5-7,23H,8-10H2,1-4H3,(H2,19,20);6-8,23H,5,9-10H2,1-4H3,(H2,19,20);5-7,23H,4,8-10H2,1-3H3,(H2,19,20)(H,21,22);6-8,11H,5,9-10H2,1-4H3,(H2,19,20);6,8-9,23H,5,7,10H2,1-4H3,(H2,19,20);5-7,11H,4,8-10H2,1-3H3,(H2,19,20)(H,21,22)
InChIKeyHTIATMSMDDQUGF-UHFFFAOYSA-N
MW2018.49 g/mol
LogP17.31
Rot. Bonds37
About 4-[[4-amino-2-(ethoxymethyl)-3H-imidazo[4,5-c]quinolin-9-yl]oxy]-2-methylbutan-2-ol;1-[4-amino-2-(ethoxymethyl)-9-methoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-amino-9-methoxy-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-(4-amino-9-methoxy-2-propylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol;2-(ethoxymethyl)-9-methoxy-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-9-(3-methylbutoxy)-3H-imidazo[4,5-c]quinolin-4-amine
4-[[4-amino-2-(ethoxymethyl)-3H-imidazo[4,5-c]quinolin-9-yl]oxy]-2-methylbutan-2-ol;1-[4-amino-2-(ethoxymethyl)-9-methoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-amino-9-methoxy-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-(4-amino-9-methoxy-2-propylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol;2-(ethoxymethyl)-9-methoxy-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-9-(3-methylbutoxy)-3H-imidazo[4,5-c]quinolin-4-amine (PubChem CID 158581645) has the molecular formula C108H144N24O15 and a molecular weight of 2018.49 g/mol. Its IUPAC name is 4-[[4-amino-2-(ethoxymethyl)-3H-imidazo[4,5-c]quinolin-9-yl]oxy]-2-methylbutan-2-ol;1-[4-amino-2-(ethoxymethyl)-9-methoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-amino-9-methoxy-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-(4-amino-9-methoxy-2-propylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol;2-(ethoxymethyl)-9-methoxy-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-9-(3-methylbutoxy)-3H-imidazo[4,5-c]quinolin-4-amine.
Molecular Properties
| Compound Name | 4-[[4-amino-2-(ethoxymethyl)-3H-imidazo[4,5-c]quinolin-9-yl]oxy]-2-methylbutan-2-ol;1-[4-amino-2-(ethoxymethyl)-9-methoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-amino-9-methoxy-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-(4-amino-9-methoxy-2-propylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol;2-(ethoxymethyl)-9-methoxy-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-9-(3-methylbutoxy)-3H-imidazo[4,5-c]quinolin-4-amine |
|---|---|
| PubChem CID | 158581645 |
| Molecular Formula | C108H144N24O15 |
| Molecular Weight | 2018.49 g/mol |
| Exact Mass | 2017.12 |
| IUPAC Name | 4-[[4-amino-2-(ethoxymethyl)-3H-imidazo[4,5-c]quinolin-9-yl]oxy]-2-methylbutan-2-ol;1-[4-amino-2-(ethoxymethyl)-9-methoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-amino-9-methoxy-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-(4-amino-9-methoxy-2-propylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol;2-(ethoxymethyl)-9-methoxy-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-9-(3-methylbutoxy)-3H-imidazo[4,5-c]quinolin-4-amine |
| SMILES | CCCc1nc2c(N)nc3cccc(OC)c3c2n1CC(C)(C)O.CCOCc1nc2c(N)nc3cccc(OC)c3c2n1CC(C)(C)O.CCOCc1nc2c(N)nc3cccc(OC)c3c2n1CC(C)C.CCOCc1nc2c([nH]1)c(N)nc1cccc(OCCC(C)(C)O)c12.CCOCc1nc2c([nH]1)c(N)nc1cccc(OCCC(C)C)c12.COCCc1nc2c(N)nc3cccc(OC)c3c2n1CC(C)(C)O |
| InChI | InChI=1S/3C18H24N4O3.3C18H24N4O2/c1-18(2,23)10-22-13(8-9-24-3)21-15-16(22)14-11(20-17(15)19)6-5-7-12(14)25-4;1-5-25-9-13-21-15-16(22(13)10-18(2,3)23)14-11(20-17(15)19)7-6-8-12(14)24-4;1-4-24-10-13-21-15-14-11(20-17(19)16(15)22-13)6-5-7-12(14)25-9-8-18(2,3)23;1-5-24-10-14-21-16-17(22(14)9-11(2)3)15-12(20-18(16)19)7-6-8-13(15)23-4;1-5-7-13-21-15-16(22(13)10-18(2,3)23)14-11(20-17(15)19)8-6-9-12(14)24-4;1-4-23-10-14-21-16-15-12(20-18(19)17(16)22-14)6-5-7-13(15)24-9-8-11(2)3/h5-7,23H,8-10H2,1-4H3,(H2,19,20);6-8,23H,5,9-10H2,1-4H3,(H2,19,20);5-7,23H,4,8-10H2,1-3H3,(H2,19,20)(H,21,22);6-8,11H,5,9-10H2,1-4H3,(H2,19,20);6,8-9,23H,5,7,10H2,1-4H3,(H2,19,20);5-7,11H,4,8-10H2,1-3H3,(H2,19,20)(H,21,22) |
| InChIKey | HTIATMSMDDQUGF-UHFFFAOYSA-N |
| XLogP | 17.31 |
| TPSA | 544.55 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 37 |
| Rotatable Bonds | 37 |
| Heavy Atoms | 147 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2018.49 |
| LogP ≤ 5 | 17.31 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 37 |
Frequently Asked Questions
What is the IUPAC name of 4-[[4-amino-2-(ethoxymethyl)-3H-imidazo[4,5-c]quinolin-9-yl]oxy]-2-methylbutan-2-ol;1-[4-amino-2-(ethoxymethyl)-9-methoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-amino-9-methoxy-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-(4-amino-9-methoxy-2-propylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol;2-(ethoxymethyl)-9-methoxy-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-9-(3-methylbutoxy)-3H-imidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 4-[[4-amino-2-(ethoxymethyl)-3H-imidazo[4,5-c]quinolin-9-yl]oxy]-2-methylbutan-2-ol;1-[4-amino-2-(ethoxymethyl)-9-methoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-amino-9-methoxy-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-(4-amino-9-methoxy-2-propylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol;2-(ethoxymethyl)-9-methoxy-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-9-(3-methylbutoxy)-3H-imidazo[4,5-c]quinolin-4-amine (CID 158581645) is 4-[[4-amino-2-(ethoxymethyl)-3H-imidazo[4,5-c]quinolin-9-yl]oxy]-2-methylbutan-2-ol;1-[4-amino-2-(ethoxymethyl)-9-methoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-amino-9-methoxy-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-(4-amino-9-methoxy-2-propylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol;2-(ethoxymethyl)-9-methoxy-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-9-(3-methylbutoxy)-3H-imidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 4-[[4-amino-2-(ethoxymethyl)-3H-imidazo[4,5-c]quinolin-9-yl]oxy]-2-methylbutan-2-ol;1-[4-amino-2-(ethoxymethyl)-9-methoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-amino-9-methoxy-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-(4-amino-9-methoxy-2-propylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol;2-(ethoxymethyl)-9-methoxy-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-9-(3-methylbutoxy)-3H-imidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 4-[[4-amino-2-(ethoxymethyl)-3H-imidazo[4,5-c]quinolin-9-yl]oxy]-2-methylbutan-2-ol;1-[4-amino-2-(ethoxymethyl)-9-methoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-amino-9-methoxy-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-(4-amino-9-methoxy-2-propylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol;2-(ethoxymethyl)-9-methoxy-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-9-(3-methylbutoxy)-3H-imidazo[4,5-c]quinolin-4-amine is CCCc1nc2c(N)nc3cccc(OC)c3c2n1CC(C)(C)O.CCOCc1nc2c(N)nc3cccc(OC)c3c2n1CC(C)(C)O.CCOCc1nc2c(N)nc3cccc(OC)c3c2n1CC(C)C.CCOCc1nc2c([nH]1)c(N)nc1cccc(OCCC(C)(C)O)c12.CCOCc1nc2c([nH]1)c(N)nc1cccc(OCCC(C)C)c12.COCCc1nc2c(N)nc3cccc(OC)c3c2n1CC(C)(C)O.
What is the InChIKey of 4-[[4-amino-2-(ethoxymethyl)-3H-imidazo[4,5-c]quinolin-9-yl]oxy]-2-methylbutan-2-ol;1-[4-amino-2-(ethoxymethyl)-9-methoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-amino-9-methoxy-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-(4-amino-9-methoxy-2-propylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol;2-(ethoxymethyl)-9-methoxy-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-9-(3-methylbutoxy)-3H-imidazo[4,5-c]quinolin-4-amine?
The InChIKey is HTIATMSMDDQUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/3C18H24N4O3.3C18H24N4O2/c1-18(2,23)10-22-13(8-9-24-3)21-15-16(22)14-11(20-17(15)19)6-5-7-12(14)25-4;1-5-25-9-13-21-15-16(22(13)10-18(2,3)23)14-11(20-17(15)19)7-6-8-12(14)24-4;1-4-24-10-13-21-15-14-11(20-17(19)16(15)22-13)6-5-7-12(14)25-9-8-18(2,3)23;1-5-24-10-14-21-16-17(22(14)9-11(2)3)15-12(20-18(16)19)7-6-8-13(15)23-4;1-5-7-13-21-15-16(22(13)10-18(2,3)23)14-11(20-17(15)19)8-6-9-12(14)24-4;1-4-23-10-14-21-16-15-12(20-18(19)17(16)22-14)6-5-7-13(15)24-9-8-11(2)3/h5-7,23H,8-10H2,1-4H3,(H2,19,20);6-8,23H,5,9-10H2,1-4H3,(H2,19,20);5-7,23H,4,8-10H2,1-3H3,(H2,19,20)(H,21,22);6-8,11H,5,9-10H2,1-4H3,(H2,19,20);6,8-9,23H,5,7,10H2,1-4H3,(H2,19,20);5-7,11H,4,8-10H2,1-3H3,(H2,19,20)(H,21,22).
What are the key properties of 4-[[4-amino-2-(ethoxymethyl)-3H-imidazo[4,5-c]quinolin-9-yl]oxy]-2-methylbutan-2-ol;1-[4-amino-2-(ethoxymethyl)-9-methoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-amino-9-methoxy-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-(4-amino-9-methoxy-2-propylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol;2-(ethoxymethyl)-9-methoxy-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-9-(3-methylbutoxy)-3H-imidazo[4,5-c]quinolin-4-amine?
4-[[4-amino-2-(ethoxymethyl)-3H-imidazo[4,5-c]quinolin-9-yl]oxy]-2-methylbutan-2-ol;1-[4-amino-2-(ethoxymethyl)-9-methoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-amino-9-methoxy-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-(4-amino-9-methoxy-2-propylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol;2-(ethoxymethyl)-9-methoxy-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-9-(3-methylbutoxy)-3H-imidazo[4,5-c]quinolin-4-amine has a molecular weight of 2018.49 g/mol, XLogP of 17.31, 37 rotatable bonds, 12 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-amino-2-(ethoxymethyl)-3H-imidazo[4,5-c]quinolin-9-yl]oxy]-2-methylbutan-2-ol;1-[4-amino-2-(ethoxymethyl)-9-methoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-amino-9-methoxy-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-(4-amino-9-methoxy-2-propylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol;2-(ethoxymethyl)-9-methoxy-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-9-(3-methylbutoxy)-3H-imidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 158581645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158581645 — identifiers, structure, computed properties (public domain)
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