About N-(1-bicyclo[2.2.2]octanyl)-6-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
N-(1-bicyclo[2.2.2]octanyl)-6-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 166831368) has the molecular formula C29H33FN4O4
and a molecular weight of 520.61 g/mol. Its IUPAC name is N-(1-bicyclo[2.2.2]octanyl)-6-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide.
Molecular Properties
| Compound Name | N-(1-bicyclo[2.2.2]octanyl)-6-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide |
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| PubChem CID | 166831368 |
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| Molecular Formula | C29H33FN4O4 |
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| Molecular Weight | 520.61 g/mol |
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| Exact Mass | 520.25 |
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| IUPAC Name | N-(1-bicyclo[2.2.2]octanyl)-6-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide |
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| SMILES | O=C(NC12CCC(CC1)CC2)c1c(O)c2cc(-c3ccc(F)cc3)cnc2n(CCN2CCOCC2)c1=O |
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| InChI | InChI=1S/C29H33FN4O4/c30-22-3-1-20(2-4-22)21-17-23-25(35)24(27(36)32-29-8-5-19(6-9-29)7-10-29)28(37)34(26(23)31-18-21)12-11-33-13-15-38-16-14-33/h1-4,17-19,35H,5-16H2,(H,32,36) |
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| InChIKey | SGIDXYYUYKAHSN-UHFFFAOYSA-N |
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| XLogP | 3.69 |
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| TPSA | 96.69 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 6 |
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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 | 520.61 |
| LogP ≤ 5 | 3.69 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 7 |
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Frequently Asked Questions
What is the IUPAC name of N-(1-bicyclo[2.2.2]octanyl)-6-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-(1-bicyclo[2.2.2]octanyl)-6-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide (CID 166831368) is N-(1-bicyclo[2.2.2]octanyl)-6-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-(1-bicyclo[2.2.2]octanyl)-6-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-(1-bicyclo[2.2.2]octanyl)-6-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide is O=C(NC12CCC(CC1)CC2)c1c(O)c2cc(-c3ccc(F)cc3)cnc2n(CCN2CCOCC2)c1=O.
What is the InChIKey of N-(1-bicyclo[2.2.2]octanyl)-6-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is SGIDXYYUYKAHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33FN4O4/c30-22-3-1-20(2-4-22)21-17-23-25(35)24(27(36)32-29-8-5-19(6-9-29)7-10-29)28(37)34(26(23)31-18-21)12-11-33-13-15-38-16-14-33/h1-4,17-19,35H,5-16H2,(H,32,36).
What are the key properties of N-(1-bicyclo[2.2.2]octanyl)-6-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
N-(1-bicyclo[2.2.2]octanyl)-6-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 520.61 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bicyclo[2.2.2]octanyl)-6-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 166831368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).