2-chloro-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]quinoline-4-carboxamide

C16H9ClN4O3 — CID 53319753

IUPAC2-chloro-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]quinoline-4-carboxamide
SMILESO=C(Nc1nnc(-c2ccco2)o1)c1cc(Cl)nc2ccccc12
InChIInChI=1S/C16H9ClN4O3/c17-13-8-10(9-4-1-2-5-11(9)18-13)14(22)19-16-21-20-15(24-16)12-6-3-7-23-12/h1-8H,(H,19,21,22)
InChIKeyVMGNYYWWEHDPKH-UHFFFAOYSA-N
MW340.73 g/mol
LogP3.78
Rot. Bonds3

About 2-chloro-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]quinoline-4-carboxamide

2-chloro-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]quinoline-4-carboxamide (PubChem CID 53319753) has the molecular formula C16H9ClN4O3 and a molecular weight of 340.73 g/mol. Its IUPAC name is 2-chloro-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]quinoline-4-carboxamide
PubChem CID53319753
Molecular FormulaC16H9ClN4O3
Molecular Weight340.73 g/mol
Exact Mass340.04
IUPAC Name2-chloro-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]quinoline-4-carboxamide
SMILESO=C(Nc1nnc(-c2ccco2)o1)c1cc(Cl)nc2ccccc12
InChIInChI=1S/C16H9ClN4O3/c17-13-8-10(9-4-1-2-5-11(9)18-13)14(22)19-16-21-20-15(24-16)12-6-3-7-23-12/h1-8H,(H,19,21,22)
InChIKeyVMGNYYWWEHDPKH-UHFFFAOYSA-N
XLogP3.78
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.73
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]quinoline-4-carboxamide?
The IUPAC name of 2-chloro-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]quinoline-4-carboxamide (CID 53319753) is 2-chloro-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]quinoline-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]quinoline-4-carboxamide?
The canonical SMILES for 2-chloro-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]quinoline-4-carboxamide is O=C(Nc1nnc(-c2ccco2)o1)c1cc(Cl)nc2ccccc12.
What is the InChIKey of 2-chloro-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]quinoline-4-carboxamide?
The InChIKey is VMGNYYWWEHDPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClN4O3/c17-13-8-10(9-4-1-2-5-11(9)18-13)14(22)19-16-21-20-15(24-16)12-6-3-7-23-12/h1-8H,(H,19,21,22).
What are the key properties of 2-chloro-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]quinoline-4-carboxamide?
2-chloro-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]quinoline-4-carboxamide has a molecular weight of 340.73 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]quinoline-4-carboxamide is sourced from PubChem (CID 53319753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).