About [4-[[4-amino-7-bromo-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]methyl]piperidin-1-yl]-morpholin-4-ylmethanone
[4-[[4-amino-7-bromo-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]methyl]piperidin-1-yl]-morpholin-4-ylmethanone (PubChem CID 68818117) has the molecular formula C24H31BrN6O3
and a molecular weight of 531.46 g/mol. Its IUPAC name is [4-[[4-amino-7-bromo-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]methyl]piperidin-1-yl]-morpholin-4-ylmethanone.
Molecular Properties
| Compound Name | [4-[[4-amino-7-bromo-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]methyl]piperidin-1-yl]-morpholin-4-ylmethanone |
|---|
| PubChem CID | 68818117 |
|---|
| Molecular Formula | C24H31BrN6O3 |
|---|
| Molecular Weight | 531.46 g/mol |
|---|
| Exact Mass | 530.16 |
|---|
| IUPAC Name | [4-[[4-amino-7-bromo-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]methyl]piperidin-1-yl]-morpholin-4-ylmethanone |
|---|
| SMILES | CCOCc1nc2c(N)nc3cc(Br)ccc3c2n1CC1CCN(C(=O)N2CCOCC2)CC1 |
|---|
| InChI | InChI=1S/C24H31BrN6O3/c1-2-33-15-20-28-21-22(18-4-3-17(25)13-19(18)27-23(21)26)31(20)14-16-5-7-29(8-6-16)24(32)30-9-11-34-12-10-30/h3-4,13,16H,2,5-12,14-15H2,1H3,(H2,26,27) |
|---|
| InChIKey | PEKOJCUPTHFSCY-UHFFFAOYSA-N |
|---|
| XLogP | 3.63 |
|---|
| TPSA | 98.74 Ų |
|---|
| H-Bond Donors | 1 |
|---|
| H-Bond Acceptors | 7 |
|---|
| Rotatable Bonds | 5 |
|---|
| Heavy Atoms | 34 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 531.46 |
| LogP ≤ 5 | 3.63 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 7 |
Analyze [4-[[4-amino-7-bromo-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]methyl]piperidin-1-yl]-morpholin-4-ylmethanone with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of [4-[[4-amino-7-bromo-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]methyl]piperidin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[[4-amino-7-bromo-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]methyl]piperidin-1-yl]-morpholin-4-ylmethanone (CID 68818117) is [4-[[4-amino-7-bromo-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]methyl]piperidin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[[4-amino-7-bromo-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]methyl]piperidin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[[4-amino-7-bromo-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]methyl]piperidin-1-yl]-morpholin-4-ylmethanone is CCOCc1nc2c(N)nc3cc(Br)ccc3c2n1CC1CCN(C(=O)N2CCOCC2)CC1.
What is the InChIKey of [4-[[4-amino-7-bromo-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]methyl]piperidin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is PEKOJCUPTHFSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31BrN6O3/c1-2-33-15-20-28-21-22(18-4-3-17(25)13-19(18)27-23(21)26)31(20)14-16-5-7-29(8-6-16)24(32)30-9-11-34-12-10-30/h3-4,13,16H,2,5-12,14-15H2,1H3,(H2,26,27).
What are the key properties of [4-[[4-amino-7-bromo-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]methyl]piperidin-1-yl]-morpholin-4-ylmethanone?
[4-[[4-amino-7-bromo-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]methyl]piperidin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 531.46 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-amino-7-bromo-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]methyl]piperidin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 68818117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).