About N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]-3-[4-(dimethylamino)phenyl]-2-methylpropanamide
N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]-3-[4-(dimethylamino)phenyl]-2-methylpropanamide (PubChem CID 162737247) has the molecular formula C28H36N6O
and a molecular weight of 472.64 g/mol. Its IUPAC name is N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]-3-[4-(dimethylamino)phenyl]-2-methylpropanamide.
Molecular Properties
| Compound Name | N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]-3-[4-(dimethylamino)phenyl]-2-methylpropanamide |
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| PubChem CID | 162737247 |
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| Molecular Formula | C28H36N6O |
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| Molecular Weight | 472.64 g/mol |
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| Exact Mass | 472.30 |
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| IUPAC Name | N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]-3-[4-(dimethylamino)phenyl]-2-methylpropanamide |
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| SMILES | CCc1nc2c(N)nc3ccccc3c2n1CCCCNC(=O)C(C)Cc1ccc(N(C)C)cc1 |
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| InChI | InChI=1S/C28H36N6O/c1-5-24-32-25-26(22-10-6-7-11-23(22)31-27(25)29)34(24)17-9-8-16-30-28(35)19(2)18-20-12-14-21(15-13-20)33(3)4/h6-7,10-15,19H,5,8-9,16-18H2,1-4H3,(H2,29,31)(H,30,35) |
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| InChIKey | XZQXJPQRNYJLFW-UHFFFAOYSA-N |
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| XLogP | 4.57 |
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| TPSA | 89.07 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 10 |
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| Heavy Atoms | 35 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 472.64 |
| LogP ≤ 5 | 4.57 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]-3-[4-(dimethylamino)phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]-3-[4-(dimethylamino)phenyl]-2-methylpropanamide (CID 162737247) is N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]-3-[4-(dimethylamino)phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]-3-[4-(dimethylamino)phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]-3-[4-(dimethylamino)phenyl]-2-methylpropanamide is CCc1nc2c(N)nc3ccccc3c2n1CCCCNC(=O)C(C)Cc1ccc(N(C)C)cc1.
What is the InChIKey of N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]-3-[4-(dimethylamino)phenyl]-2-methylpropanamide?
The InChIKey is XZQXJPQRNYJLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N6O/c1-5-24-32-25-26(22-10-6-7-11-23(22)31-27(25)29)34(24)17-9-8-16-30-28(35)19(2)18-20-12-14-21(15-13-20)33(3)4/h6-7,10-15,19H,5,8-9,16-18H2,1-4H3,(H2,29,31)(H,30,35).
What are the key properties of N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]-3-[4-(dimethylamino)phenyl]-2-methylpropanamide?
N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]-3-[4-(dimethylamino)phenyl]-2-methylpropanamide has a molecular weight of 472.64 g/mol, XLogP of 4.57, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]-3-[4-(dimethylamino)phenyl]-2-methylpropanamide is sourced from PubChem (CID 162737247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).