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

C22H13FN4O2S — CID 3441604

IUPACN-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide
SMILESO=C(Nc1nnc(-c2ccc(F)cc2)o1)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C22H13FN4O2S/c23-14-9-7-13(8-10-14)21-26-27-22(29-21)25-20(28)16-12-18(19-6-3-11-30-19)24-17-5-2-1-4-15(16)17/h1-12H,(H,25,27,28)
InChIKeyDSBNBRRKIOAAID-UHFFFAOYSA-N
MW416.44 g/mol
LogP5.40
Rot. Bonds4

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

N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide (PubChem CID 3441604) has the molecular formula C22H13FN4O2S and a molecular weight of 416.44 g/mol. Its IUPAC name is N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide
PubChem CID3441604
Molecular FormulaC22H13FN4O2S
Molecular Weight416.44 g/mol
Exact Mass416.07
IUPAC NameN-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide
SMILESO=C(Nc1nnc(-c2ccc(F)cc2)o1)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C22H13FN4O2S/c23-14-9-7-13(8-10-14)21-26-27-22(29-21)25-20(28)16-12-18(19-6-3-11-30-19)24-17-5-2-1-4-15(16)17/h1-12H,(H,25,27,28)
InChIKeyDSBNBRRKIOAAID-UHFFFAOYSA-N
XLogP5.40
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.44
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide?
The IUPAC name of N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide (CID 3441604) is N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide is O=C(Nc1nnc(-c2ccc(F)cc2)o1)c1cc(-c2cccs2)nc2ccccc12.
What is the InChIKey of N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide?
The InChIKey is DSBNBRRKIOAAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13FN4O2S/c23-14-9-7-13(8-10-14)21-26-27-22(29-21)25-20(28)16-12-18(19-6-3-11-30-19)24-17-5-2-1-4-15(16)17/h1-12H,(H,25,27,28).
What are the key properties of N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide?
N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide has a molecular weight of 416.44 g/mol, XLogP of 5.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 3441604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).