About 7-fluoro-N-pyridin-3-ylquinoline-2-carboxamide
7-fluoro-N-pyridin-3-ylquinoline-2-carboxamide (PubChem CID 110485373) has the molecular formula C15H10FN3O
and a molecular weight of 267.26 g/mol. Its IUPAC name is 7-fluoro-N-pyridin-3-ylquinoline-2-carboxamide.
Molecular Properties
| Compound Name | 7-fluoro-N-pyridin-3-ylquinoline-2-carboxamide |
| PubChem CID | 110485373 |
| Molecular Formula | C15H10FN3O |
| Molecular Weight | 267.26 g/mol |
| Exact Mass | 267.08 |
| IUPAC Name | 7-fluoro-N-pyridin-3-ylquinoline-2-carboxamide |
| SMILES | O=C(Nc1cccnc1)c1ccc2ccc(F)cc2n1 |
| InChI | InChI=1S/C15H10FN3O/c16-11-5-3-10-4-6-13(19-14(10)8-11)15(20)18-12-2-1-7-17-9-12/h1-9H,(H,18,20) |
| InChIKey | LLQJUUXHCMMPCG-UHFFFAOYSA-N |
| XLogP | 3.02 |
| TPSA | 54.88 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 20 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 267.26 |
| LogP ≤ 5 | 3.02 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 7-fluoro-N-pyridin-3-ylquinoline-2-carboxamide?
The IUPAC name of 7-fluoro-N-pyridin-3-ylquinoline-2-carboxamide (CID 110485373) is 7-fluoro-N-pyridin-3-ylquinoline-2-carboxamide.
What is the SMILES notation for 7-fluoro-N-pyridin-3-ylquinoline-2-carboxamide?
The canonical SMILES for 7-fluoro-N-pyridin-3-ylquinoline-2-carboxamide is O=C(Nc1cccnc1)c1ccc2ccc(F)cc2n1.
What is the InChIKey of 7-fluoro-N-pyridin-3-ylquinoline-2-carboxamide?
The InChIKey is LLQJUUXHCMMPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3O/c16-11-5-3-10-4-6-13(19-14(10)8-11)15(20)18-12-2-1-7-17-9-12/h1-9H,(H,18,20).
What are the key properties of 7-fluoro-N-pyridin-3-ylquinoline-2-carboxamide?
7-fluoro-N-pyridin-3-ylquinoline-2-carboxamide has a molecular weight of 267.26 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-pyridin-3-ylquinoline-2-carboxamide is sourced from PubChem (CID 110485373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).