About N-[[4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-5-methyl-3-pyridinyl]methyl]cyclopentanecarboxamide
N-[[4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-5-methyl-3-pyridinyl]methyl]cyclopentanecarboxamide (PubChem CID 145480874) has the molecular formula C29H34N4O2
and a molecular weight of 470.62 g/mol. Its IUPAC name is N-[[4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-5-methyl-3-pyridinyl]methyl]cyclopentanecarboxamide.
Molecular Properties
| Compound Name | N-[[4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-5-methyl-3-pyridinyl]methyl]cyclopentanecarboxamide |
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| PubChem CID | 145480874 |
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| Molecular Formula | C29H34N4O2 |
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| Molecular Weight | 470.62 g/mol |
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| Exact Mass | 470.27 |
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| IUPAC Name | N-[[4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-5-methyl-3-pyridinyl]methyl]cyclopentanecarboxamide |
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| SMILES | C=CN(/C=C\C)c1cc(C)nc2c(OCc3c(C)cncc3CNC(=O)C3CCCC3)cccc12 |
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| InChI | InChI=1S/C29H34N4O2/c1-5-14-33(6-2)26-15-21(4)32-28-24(26)12-9-13-27(28)35-19-25-20(3)16-30-17-23(25)18-31-29(34)22-10-7-8-11-22/h5-6,9,12-17,22H,2,7-8,10-11,18-19H2,1,3-4H3,(H,31,34)/b14-5- |
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| InChIKey | GBXMDRFLMQSHSR-RZNTYIFUSA-N |
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| XLogP | 6.12 |
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| TPSA | 67.35 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 9 |
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| Heavy Atoms | 35 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 470.62 |
| LogP ≤ 5 | 6.12 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 5 |
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Frequently Asked Questions
What is the IUPAC name of N-[[4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-5-methyl-3-pyridinyl]methyl]cyclopentanecarboxamide?
The IUPAC name of N-[[4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-5-methyl-3-pyridinyl]methyl]cyclopentanecarboxamide (CID 145480874) is N-[[4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-5-methyl-3-pyridinyl]methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[[4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-5-methyl-3-pyridinyl]methyl]cyclopentanecarboxamide?
The canonical SMILES for N-[[4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-5-methyl-3-pyridinyl]methyl]cyclopentanecarboxamide is C=CN(/C=C\C)c1cc(C)nc2c(OCc3c(C)cncc3CNC(=O)C3CCCC3)cccc12.
What is the InChIKey of N-[[4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-5-methyl-3-pyridinyl]methyl]cyclopentanecarboxamide?
The InChIKey is GBXMDRFLMQSHSR-RZNTYIFUSA-N. The full InChI is InChI=1S/C29H34N4O2/c1-5-14-33(6-2)26-15-21(4)32-28-24(26)12-9-13-27(28)35-19-25-20(3)16-30-17-23(25)18-31-29(34)22-10-7-8-11-22/h5-6,9,12-17,22H,2,7-8,10-11,18-19H2,1,3-4H3,(H,31,34)/b14-5-.
What are the key properties of N-[[4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-5-methyl-3-pyridinyl]methyl]cyclopentanecarboxamide?
N-[[4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-5-methyl-3-pyridinyl]methyl]cyclopentanecarboxamide has a molecular weight of 470.62 g/mol, XLogP of 6.12, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-5-methyl-3-pyridinyl]methyl]cyclopentanecarboxamide is sourced from PubChem (CID 145480874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).