About 6-(4-fluorophenyl)-N-hexyl-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide;methanol
6-(4-fluorophenyl)-N-hexyl-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide;methanol (PubChem CID 167499653) has the molecular formula C28H37FN4O5
and a molecular weight of 528.63 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-N-hexyl-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide;methanol.
Molecular Properties
| Compound Name | 6-(4-fluorophenyl)-N-hexyl-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide;methanol |
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| PubChem CID | 167499653 |
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| Molecular Formula | C28H37FN4O5 |
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| Molecular Weight | 528.63 g/mol |
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| Exact Mass | 528.27 |
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| IUPAC Name | 6-(4-fluorophenyl)-N-hexyl-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide;methanol |
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| SMILES | CCCCCCNC(=O)c1c(O)c2cc(-c3ccc(F)cc3)cnc2n(CCN2CCOCC2)c1=O.CO |
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| InChI | InChI=1S/C27H33FN4O4.CH4O/c1-2-3-4-5-10-29-26(34)23-24(33)22-17-20(19-6-8-21(28)9-7-19)18-30-25(22)32(27(23)35)12-11-31-13-15-36-16-14-31;1-2/h6-9,17-18,33H,2-5,10-16H2,1H3,(H,29,34);2H,1H3 |
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| InChIKey | CBOQZELAIDHSPI-UHFFFAOYSA-N |
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| XLogP | 3.16 |
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| TPSA | 116.92 Ų |
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| H-Bond Donors | 3 |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 10 |
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| Heavy Atoms | 38 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 528.63 |
| LogP ≤ 5 | 3.16 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 8 |
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 6-(4-fluorophenyl)-N-hexyl-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide;methanol?
The IUPAC name of 6-(4-fluorophenyl)-N-hexyl-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide;methanol (CID 167499653) is 6-(4-fluorophenyl)-N-hexyl-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide;methanol.
What is the SMILES notation for 6-(4-fluorophenyl)-N-hexyl-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide;methanol?
The canonical SMILES for 6-(4-fluorophenyl)-N-hexyl-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide;methanol is CCCCCCNC(=O)c1c(O)c2cc(-c3ccc(F)cc3)cnc2n(CCN2CCOCC2)c1=O.CO.
What is the InChIKey of 6-(4-fluorophenyl)-N-hexyl-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide;methanol?
The InChIKey is CBOQZELAIDHSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33FN4O4.CH4O/c1-2-3-4-5-10-29-26(34)23-24(33)22-17-20(19-6-8-21(28)9-7-19)18-30-25(22)32(27(23)35)12-11-31-13-15-36-16-14-31;1-2/h6-9,17-18,33H,2-5,10-16H2,1H3,(H,29,34);2H,1H3.
What are the key properties of 6-(4-fluorophenyl)-N-hexyl-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide;methanol?
6-(4-fluorophenyl)-N-hexyl-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide;methanol has a molecular weight of 528.63 g/mol, XLogP of 3.16, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-N-hexyl-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide;methanol is sourced from PubChem (CID 167499653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).