About 2-chloro-N-quinolin-5-ylfuran-3-carboxamide
2-chloro-N-quinolin-5-ylfuran-3-carboxamide (PubChem CID 106685203) has the molecular formula C14H9ClN2O2
and a molecular weight of 272.69 g/mol. Its IUPAC name is 2-chloro-N-quinolin-5-ylfuran-3-carboxamide.
Molecular Properties
| Compound Name | 2-chloro-N-quinolin-5-ylfuran-3-carboxamide |
| PubChem CID | 106685203 |
| Molecular Formula | C14H9ClN2O2 |
| Molecular Weight | 272.69 g/mol |
| Exact Mass | 272.04 |
| IUPAC Name | 2-chloro-N-quinolin-5-ylfuran-3-carboxamide |
| SMILES | O=C(Nc1cccc2ncccc12)c1ccoc1Cl |
| InChI | InChI=1S/C14H9ClN2O2/c15-13-10(6-8-19-13)14(18)17-12-5-1-4-11-9(12)3-2-7-16-11/h1-8H,(H,17,18) |
| InChIKey | PQRKMDMPVLLWJG-UHFFFAOYSA-N |
| XLogP | 3.73 |
| TPSA | 55.13 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 19 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 272.69 |
| LogP ≤ 5 | 3.73 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 2-chloro-N-quinolin-5-ylfuran-3-carboxamide?
The IUPAC name of 2-chloro-N-quinolin-5-ylfuran-3-carboxamide (CID 106685203) is 2-chloro-N-quinolin-5-ylfuran-3-carboxamide.
What is the SMILES notation for 2-chloro-N-quinolin-5-ylfuran-3-carboxamide?
The canonical SMILES for 2-chloro-N-quinolin-5-ylfuran-3-carboxamide is O=C(Nc1cccc2ncccc12)c1ccoc1Cl.
What is the InChIKey of 2-chloro-N-quinolin-5-ylfuran-3-carboxamide?
The InChIKey is PQRKMDMPVLLWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O2/c15-13-10(6-8-19-13)14(18)17-12-5-1-4-11-9(12)3-2-7-16-11/h1-8H,(H,17,18).
What are the key properties of 2-chloro-N-quinolin-5-ylfuran-3-carboxamide?
2-chloro-N-quinolin-5-ylfuran-3-carboxamide has a molecular weight of 272.69 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-quinolin-5-ylfuran-3-carboxamide is sourced from PubChem (CID 106685203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).