About 1-[[5-chloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-3-methylimidazolidin-2-one
1-[[5-chloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-3-methylimidazolidin-2-one (PubChem CID 89017934) has the molecular formula C26H28ClN5O2
and a molecular weight of 478.00 g/mol. Its IUPAC name is 1-[[5-chloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-3-methylimidazolidin-2-one.
Molecular Properties
| Compound Name | 1-[[5-chloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-3-methylimidazolidin-2-one |
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| PubChem CID | 89017934 |
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| Molecular Formula | C26H28ClN5O2 |
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| Molecular Weight | 478.00 g/mol |
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| Exact Mass | 477.19 |
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| IUPAC Name | 1-[[5-chloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-3-methylimidazolidin-2-one |
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| SMILES | C=CN(/C=C\C)c1cc(C)nc2c(OCc3c(Cl)cncc3CN3CCN(C)C3=O)cccc12 |
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| InChI | InChI=1S/C26H28ClN5O2/c1-5-10-31(6-2)23-13-18(3)29-25-20(23)8-7-9-24(25)34-17-21-19(14-28-15-22(21)27)16-32-12-11-30(4)26(32)33/h5-10,13-15H,2,11-12,16-17H2,1,3-4H3/b10-5- |
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| InChIKey | YMIPUBWRJWPAFS-YHYXMXQVSA-N |
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| XLogP | 5.52 |
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| TPSA | 61.80 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 8 |
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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 | 478.00 |
| LogP ≤ 5 | 5.52 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |
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Frequently Asked Questions
What is the IUPAC name of 1-[[5-chloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-3-methylimidazolidin-2-one?
The IUPAC name of 1-[[5-chloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-3-methylimidazolidin-2-one (CID 89017934) is 1-[[5-chloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-[[5-chloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-3-methylimidazolidin-2-one?
The canonical SMILES for 1-[[5-chloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-3-methylimidazolidin-2-one is C=CN(/C=C\C)c1cc(C)nc2c(OCc3c(Cl)cncc3CN3CCN(C)C3=O)cccc12.
What is the InChIKey of 1-[[5-chloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-3-methylimidazolidin-2-one?
The InChIKey is YMIPUBWRJWPAFS-YHYXMXQVSA-N. The full InChI is InChI=1S/C26H28ClN5O2/c1-5-10-31(6-2)23-13-18(3)29-25-20(23)8-7-9-24(25)34-17-21-19(14-28-15-22(21)27)16-32-12-11-30(4)26(32)33/h5-10,13-15H,2,11-12,16-17H2,1,3-4H3/b10-5-.
What are the key properties of 1-[[5-chloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-3-methylimidazolidin-2-one?
1-[[5-chloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-3-methylimidazolidin-2-one has a molecular weight of 478.00 g/mol, XLogP of 5.52, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-chloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-3-methylimidazolidin-2-one is sourced from PubChem (CID 89017934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).