About 4-(2-methoxyethylamino)-N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-2-oxo-1-phenylpyridine-3-carboxamide
4-(2-methoxyethylamino)-N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-2-oxo-1-phenylpyridine-3-carboxamide (PubChem CID 11963310) has the molecular formula C30H27N5O5
and a molecular weight of 537.58 g/mol. Its IUPAC name is 4-(2-methoxyethylamino)-N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-2-oxo-1-phenylpyridine-3-carboxamide.
Molecular Properties
| Compound Name | 4-(2-methoxyethylamino)-N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-2-oxo-1-phenylpyridine-3-carboxamide |
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| PubChem CID | 11963310 |
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| Molecular Formula | C30H27N5O5 |
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| Molecular Weight | 537.58 g/mol |
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| Exact Mass | 537.20 |
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| IUPAC Name | 4-(2-methoxyethylamino)-N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-2-oxo-1-phenylpyridine-3-carboxamide |
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| SMILES | COCCNc1ccn(-c2ccccc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OC)ccc23)cn1 |
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| InChI | InChI=1S/C30H27N5O5/c1-38-17-15-32-24-13-16-35(20-6-4-3-5-7-20)30(37)28(24)29(36)34-27-11-9-22(19-33-27)40-26-12-14-31-25-18-21(39-2)8-10-23(25)26/h3-14,16,18-19,32H,15,17H2,1-2H3,(H,33,34,36) |
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| InChIKey | AKLARZWWYXICKZ-UHFFFAOYSA-N |
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| XLogP | 4.89 |
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| TPSA | 116.60 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 9 |
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| Rotatable Bonds | 10 |
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| Heavy Atoms | 40 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 537.58 |
| LogP ≤ 5 | 4.89 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 9 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 4-(2-methoxyethylamino)-N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-2-oxo-1-phenylpyridine-3-carboxamide?
The IUPAC name of 4-(2-methoxyethylamino)-N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-2-oxo-1-phenylpyridine-3-carboxamide (CID 11963310) is 4-(2-methoxyethylamino)-N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-2-oxo-1-phenylpyridine-3-carboxamide.
What is the SMILES notation for 4-(2-methoxyethylamino)-N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-2-oxo-1-phenylpyridine-3-carboxamide?
The canonical SMILES for 4-(2-methoxyethylamino)-N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-2-oxo-1-phenylpyridine-3-carboxamide is COCCNc1ccn(-c2ccccc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OC)ccc23)cn1.
What is the InChIKey of 4-(2-methoxyethylamino)-N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-2-oxo-1-phenylpyridine-3-carboxamide?
The InChIKey is AKLARZWWYXICKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N5O5/c1-38-17-15-32-24-13-16-35(20-6-4-3-5-7-20)30(37)28(24)29(36)34-27-11-9-22(19-33-27)40-26-12-14-31-25-18-21(39-2)8-10-23(25)26/h3-14,16,18-19,32H,15,17H2,1-2H3,(H,33,34,36).
What are the key properties of 4-(2-methoxyethylamino)-N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-2-oxo-1-phenylpyridine-3-carboxamide?
4-(2-methoxyethylamino)-N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-2-oxo-1-phenylpyridine-3-carboxamide has a molecular weight of 537.58 g/mol, XLogP of 4.89, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethylamino)-N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-2-oxo-1-phenylpyridine-3-carboxamide is sourced from PubChem (CID 11963310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).