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

C22H13FN4O3 — CID 67205439

IUPAC2-(2-fluorophenyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]quinoline-4-carboxamide
SMILESO=C(Nc1nnc(-c2ccco2)o1)c1cc(-c2ccccc2F)nc2ccccc12
InChIInChI=1S/C22H13FN4O3/c23-16-8-3-1-7-14(16)18-12-15(13-6-2-4-9-17(13)24-18)20(28)25-22-27-26-21(30-22)19-10-5-11-29-19/h1-12H,(H,25,27,28)
InChIKeyWGDAWQRDRWYFQL-UHFFFAOYSA-N
MW400.37 g/mol
LogP4.94
Rot. Bonds4

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

2-(2-fluorophenyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]quinoline-4-carboxamide (PubChem CID 67205439) has the molecular formula C22H13FN4O3 and a molecular weight of 400.37 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]quinoline-4-carboxamide
PubChem CID67205439
Molecular FormulaC22H13FN4O3
Molecular Weight400.37 g/mol
Exact Mass400.10
IUPAC Name2-(2-fluorophenyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]quinoline-4-carboxamide
SMILESO=C(Nc1nnc(-c2ccco2)o1)c1cc(-c2ccccc2F)nc2ccccc12
InChIInChI=1S/C22H13FN4O3/c23-16-8-3-1-7-14(16)18-12-15(13-6-2-4-9-17(13)24-18)20(28)25-22-27-26-21(30-22)19-10-5-11-29-19/h1-12H,(H,25,27,28)
InChIKeyWGDAWQRDRWYFQL-UHFFFAOYSA-N
XLogP4.94
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.37
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-(3-hydroxyphenyl)quinoline-4-carboxamide
CID 67204238
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenyl-6-pyridin-4-ylquinoline-4-carboxamide
CID 67204691
8-chloro-2-(furan-2-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]quinoline-4-carboxamide
CID 67206871
N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenylquinoline-4-carboxamide
CID 67204744
N-[(2-fluorophenyl)methyl]-2-(furan-2-yl)quinoline-4-carboxamide
CID 4847591
6-bromo-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
CID 67205544
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylbenzamide
CID 4129515
2-amino-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-phenyl-[1,3]thiazolo[4,5-b]pyridine-7-carboxamide
CID 89120301
2-(furan-2-yl)-N-[4-[4-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]phenoxy]phenyl]quinoline-4-carboxamide
CID 3663828
3-(3-fluoro-4-phenylphenyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 70941308
N-tert-butyl-2-(furan-2-yl)quinoline-4-carboxamide
CID 3611196
2-phenyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)quinoline-4-carboxamide
CID 2104460

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]quinoline-4-carboxamide?
The IUPAC name of 2-(2-fluorophenyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]quinoline-4-carboxamide (CID 67205439) is 2-(2-fluorophenyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]quinoline-4-carboxamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]quinoline-4-carboxamide is O=C(Nc1nnc(-c2ccco2)o1)c1cc(-c2ccccc2F)nc2ccccc12.
What is the InChIKey of 2-(2-fluorophenyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]quinoline-4-carboxamide?
The InChIKey is WGDAWQRDRWYFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13FN4O3/c23-16-8-3-1-7-14(16)18-12-15(13-6-2-4-9-17(13)24-18)20(28)25-22-27-26-21(30-22)19-10-5-11-29-19/h1-12H,(H,25,27,28).
What are the key properties of 2-(2-fluorophenyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]quinoline-4-carboxamide?
2-(2-fluorophenyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]quinoline-4-carboxamide has a molecular weight of 400.37 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]quinoline-4-carboxamide is sourced from PubChem (CID 67205439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).