About N-(6-chloroquinolin-8-yl)furan-2-carboxamide
N-(6-chloroquinolin-8-yl)furan-2-carboxamide (PubChem CID 60729929) has the molecular formula C14H9ClN2O2
and a molecular weight of 272.69 g/mol. Its IUPAC name is N-(6-chloroquinolin-8-yl)furan-2-carboxamide.
Molecular Properties
| Compound Name | N-(6-chloroquinolin-8-yl)furan-2-carboxamide |
| PubChem CID | 60729929 |
| Molecular Formula | C14H9ClN2O2 |
| Molecular Weight | 272.69 g/mol |
| Exact Mass | 272.04 |
| IUPAC Name | N-(6-chloroquinolin-8-yl)furan-2-carboxamide |
| SMILES | O=C(Nc1cc(Cl)cc2cccnc12)c1ccco1 |
| InChI | InChI=1S/C14H9ClN2O2/c15-10-7-9-3-1-5-16-13(9)11(8-10)17-14(18)12-4-2-6-19-12/h1-8H,(H,17,18) |
| InChIKey | VBAFLCSDFZUHHY-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 N-(6-chloroquinolin-8-yl)furan-2-carboxamide?
The IUPAC name of N-(6-chloroquinolin-8-yl)furan-2-carboxamide (CID 60729929) is N-(6-chloroquinolin-8-yl)furan-2-carboxamide.
What is the SMILES notation for N-(6-chloroquinolin-8-yl)furan-2-carboxamide?
The canonical SMILES for N-(6-chloroquinolin-8-yl)furan-2-carboxamide is O=C(Nc1cc(Cl)cc2cccnc12)c1ccco1.
What is the InChIKey of N-(6-chloroquinolin-8-yl)furan-2-carboxamide?
The InChIKey is VBAFLCSDFZUHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O2/c15-10-7-9-3-1-5-16-13(9)11(8-10)17-14(18)12-4-2-6-19-12/h1-8H,(H,17,18).
What are the key properties of N-(6-chloroquinolin-8-yl)furan-2-carboxamide?
N-(6-chloroquinolin-8-yl)furan-2-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 N-(6-chloroquinolin-8-yl)furan-2-carboxamide is sourced from PubChem (CID 60729929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).