About N-[2-methyl-1-(6-methyl-2-pyridinyl)-6-[2-tri(propan-2-yl)silylethynyl]-3,4-dihydro-2H-quinolin-4-yl]acetamide
N-[2-methyl-1-(6-methyl-2-pyridinyl)-6-[2-tri(propan-2-yl)silylethynyl]-3,4-dihydro-2H-quinolin-4-yl]acetamide (PubChem CID 123234839) has the molecular formula C29H41N3OSi
and a molecular weight of 475.75 g/mol. Its IUPAC name is N-[2-methyl-1-(6-methyl-2-pyridinyl)-6-[2-tri(propan-2-yl)silylethynyl]-3,4-dihydro-2H-quinolin-4-yl]acetamide.
Molecular Properties
| Compound Name | N-[2-methyl-1-(6-methyl-2-pyridinyl)-6-[2-tri(propan-2-yl)silylethynyl]-3,4-dihydro-2H-quinolin-4-yl]acetamide |
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| PubChem CID | 123234839 |
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| Molecular Formula | C29H41N3OSi |
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| Molecular Weight | 475.75 g/mol |
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| Exact Mass | 475.30 |
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| IUPAC Name | N-[2-methyl-1-(6-methyl-2-pyridinyl)-6-[2-tri(propan-2-yl)silylethynyl]-3,4-dihydro-2H-quinolin-4-yl]acetamide |
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| SMILES | CC(=O)NC1CC(C)N(c2cccc(C)n2)c2ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc21 |
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| InChI | InChI=1S/C29H41N3OSi/c1-19(2)34(20(3)4,21(5)6)16-15-25-13-14-28-26(18-25)27(31-24(9)33)17-23(8)32(28)29-12-10-11-22(7)30-29/h10-14,18-21,23,27H,17H2,1-9H3,(H,31,33) |
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| InChIKey | BUNJLEBUYWFTSR-UHFFFAOYSA-N |
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| XLogP | 7.07 |
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| TPSA | 45.23 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 34 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 475.75 |
| LogP ≤ 5 | 7.07 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-[2-methyl-1-(6-methyl-2-pyridinyl)-6-[2-tri(propan-2-yl)silylethynyl]-3,4-dihydro-2H-quinolin-4-yl]acetamide?
The IUPAC name of N-[2-methyl-1-(6-methyl-2-pyridinyl)-6-[2-tri(propan-2-yl)silylethynyl]-3,4-dihydro-2H-quinolin-4-yl]acetamide (CID 123234839) is N-[2-methyl-1-(6-methyl-2-pyridinyl)-6-[2-tri(propan-2-yl)silylethynyl]-3,4-dihydro-2H-quinolin-4-yl]acetamide.
What is the SMILES notation for N-[2-methyl-1-(6-methyl-2-pyridinyl)-6-[2-tri(propan-2-yl)silylethynyl]-3,4-dihydro-2H-quinolin-4-yl]acetamide?
The canonical SMILES for N-[2-methyl-1-(6-methyl-2-pyridinyl)-6-[2-tri(propan-2-yl)silylethynyl]-3,4-dihydro-2H-quinolin-4-yl]acetamide is CC(=O)NC1CC(C)N(c2cccc(C)n2)c2ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc21.
What is the InChIKey of N-[2-methyl-1-(6-methyl-2-pyridinyl)-6-[2-tri(propan-2-yl)silylethynyl]-3,4-dihydro-2H-quinolin-4-yl]acetamide?
The InChIKey is BUNJLEBUYWFTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41N3OSi/c1-19(2)34(20(3)4,21(5)6)16-15-25-13-14-28-26(18-25)27(31-24(9)33)17-23(8)32(28)29-12-10-11-22(7)30-29/h10-14,18-21,23,27H,17H2,1-9H3,(H,31,33).
What are the key properties of N-[2-methyl-1-(6-methyl-2-pyridinyl)-6-[2-tri(propan-2-yl)silylethynyl]-3,4-dihydro-2H-quinolin-4-yl]acetamide?
N-[2-methyl-1-(6-methyl-2-pyridinyl)-6-[2-tri(propan-2-yl)silylethynyl]-3,4-dihydro-2H-quinolin-4-yl]acetamide has a molecular weight of 475.75 g/mol, XLogP of 7.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-(6-methyl-2-pyridinyl)-6-[2-tri(propan-2-yl)silylethynyl]-3,4-dihydro-2H-quinolin-4-yl]acetamide is sourced from PubChem (CID 123234839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).