About N-[(2-chloro-5,7-dimethylquinolin-3-yl)methyl]-N-[(2-chloro-6-methylquinolin-3-yl)methyl]-1-pyridin-3-ylmethanamine
N-[(2-chloro-5,7-dimethylquinolin-3-yl)methyl]-N-[(2-chloro-6-methylquinolin-3-yl)methyl]-1-pyridin-3-ylmethanamine (PubChem CID 162646271) has the molecular formula C29H26Cl2N4
and a molecular weight of 501.46 g/mol. Its IUPAC name is N-[(2-chloro-5,7-dimethylquinolin-3-yl)methyl]-N-[(2-chloro-6-methylquinolin-3-yl)methyl]-1-pyridin-3-ylmethanamine.
Molecular Properties
| Compound Name | N-[(2-chloro-5,7-dimethylquinolin-3-yl)methyl]-N-[(2-chloro-6-methylquinolin-3-yl)methyl]-1-pyridin-3-ylmethanamine |
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| PubChem CID | 162646271 |
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| Molecular Formula | C29H26Cl2N4 |
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| Molecular Weight | 501.46 g/mol |
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| Exact Mass | 500.15 |
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| IUPAC Name | N-[(2-chloro-5,7-dimethylquinolin-3-yl)methyl]-N-[(2-chloro-6-methylquinolin-3-yl)methyl]-1-pyridin-3-ylmethanamine |
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| SMILES | Cc1ccc2nc(Cl)c(CN(Cc3cccnc3)Cc3cc4c(C)cc(C)cc4nc3Cl)cc2c1 |
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| InChI | InChI=1S/C29H26Cl2N4/c1-18-6-7-26-22(10-18)12-23(28(30)33-26)16-35(15-21-5-4-8-32-14-21)17-24-13-25-20(3)9-19(2)11-27(25)34-29(24)31/h4-14H,15-17H2,1-3H3 |
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| InChIKey | DQYCVXAWVAQDOC-UHFFFAOYSA-N |
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| XLogP | 7.61 |
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| TPSA | 41.91 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 35 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 501.46 |
| LogP ≤ 5 | 7.61 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-[(2-chloro-5,7-dimethylquinolin-3-yl)methyl]-N-[(2-chloro-6-methylquinolin-3-yl)methyl]-1-pyridin-3-ylmethanamine?
The IUPAC name of N-[(2-chloro-5,7-dimethylquinolin-3-yl)methyl]-N-[(2-chloro-6-methylquinolin-3-yl)methyl]-1-pyridin-3-ylmethanamine (CID 162646271) is N-[(2-chloro-5,7-dimethylquinolin-3-yl)methyl]-N-[(2-chloro-6-methylquinolin-3-yl)methyl]-1-pyridin-3-ylmethanamine.
What is the SMILES notation for N-[(2-chloro-5,7-dimethylquinolin-3-yl)methyl]-N-[(2-chloro-6-methylquinolin-3-yl)methyl]-1-pyridin-3-ylmethanamine?
The canonical SMILES for N-[(2-chloro-5,7-dimethylquinolin-3-yl)methyl]-N-[(2-chloro-6-methylquinolin-3-yl)methyl]-1-pyridin-3-ylmethanamine is Cc1ccc2nc(Cl)c(CN(Cc3cccnc3)Cc3cc4c(C)cc(C)cc4nc3Cl)cc2c1.
What is the InChIKey of N-[(2-chloro-5,7-dimethylquinolin-3-yl)methyl]-N-[(2-chloro-6-methylquinolin-3-yl)methyl]-1-pyridin-3-ylmethanamine?
The InChIKey is DQYCVXAWVAQDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26Cl2N4/c1-18-6-7-26-22(10-18)12-23(28(30)33-26)16-35(15-21-5-4-8-32-14-21)17-24-13-25-20(3)9-19(2)11-27(25)34-29(24)31/h4-14H,15-17H2,1-3H3.
What are the key properties of N-[(2-chloro-5,7-dimethylquinolin-3-yl)methyl]-N-[(2-chloro-6-methylquinolin-3-yl)methyl]-1-pyridin-3-ylmethanamine?
N-[(2-chloro-5,7-dimethylquinolin-3-yl)methyl]-N-[(2-chloro-6-methylquinolin-3-yl)methyl]-1-pyridin-3-ylmethanamine has a molecular weight of 501.46 g/mol, XLogP of 7.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-5,7-dimethylquinolin-3-yl)methyl]-N-[(2-chloro-6-methylquinolin-3-yl)methyl]-1-pyridin-3-ylmethanamine is sourced from PubChem (CID 162646271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).