2-phenyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethoxy)quinoline-4-carboxamide

C23H13F3N4O3S — CID 67204679

IUPAC2-phenyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethoxy)quinoline-4-carboxamide
SMILESO=C(Nc1nnc(-c2cccs2)o1)c1cc(-c2ccccc2)nc2ccc(OC(F)(F)F)cc12
InChIInChI=1S/C23H13F3N4O3S/c24-23(25,26)33-14-8-9-17-15(11-14)16(12-18(27-17)13-5-2-1-3-6-13)20(31)28-22-30-29-21(32-22)19-7-4-10-34-19/h1-12H,(H,28,30,31)
InChIKeyDLCOQDWZJUAVNQ-UHFFFAOYSA-N
MW482.44 g/mol
LogP6.16
Rot. Bonds5

About 2-phenyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethoxy)quinoline-4-carboxamide

2-phenyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethoxy)quinoline-4-carboxamide (PubChem CID 67204679) has the molecular formula C23H13F3N4O3S and a molecular weight of 482.44 g/mol. Its IUPAC name is 2-phenyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethoxy)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethoxy)quinoline-4-carboxamide
PubChem CID67204679
Molecular FormulaC23H13F3N4O3S
Molecular Weight482.44 g/mol
Exact Mass482.07
IUPAC Name2-phenyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethoxy)quinoline-4-carboxamide
SMILESO=C(Nc1nnc(-c2cccs2)o1)c1cc(-c2ccccc2)nc2ccc(OC(F)(F)F)cc12
InChIInChI=1S/C23H13F3N4O3S/c24-23(25,26)33-14-8-9-17-15(11-14)16(12-18(27-17)13-5-2-1-3-6-13)20(31)28-22-30-29-21(32-22)19-7-4-10-34-19/h1-12H,(H,28,30,31)
InChIKeyDLCOQDWZJUAVNQ-UHFFFAOYSA-N
XLogP6.16
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.44
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-phenyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethoxy)quinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethoxy)quinoline-4-carboxamide?
The IUPAC name of 2-phenyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethoxy)quinoline-4-carboxamide (CID 67204679) is 2-phenyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethoxy)quinoline-4-carboxamide.
What is the SMILES notation for 2-phenyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethoxy)quinoline-4-carboxamide?
The canonical SMILES for 2-phenyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethoxy)quinoline-4-carboxamide is O=C(Nc1nnc(-c2cccs2)o1)c1cc(-c2ccccc2)nc2ccc(OC(F)(F)F)cc12.
What is the InChIKey of 2-phenyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethoxy)quinoline-4-carboxamide?
The InChIKey is DLCOQDWZJUAVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13F3N4O3S/c24-23(25,26)33-14-8-9-17-15(11-14)16(12-18(27-17)13-5-2-1-3-6-13)20(31)28-22-30-29-21(32-22)19-7-4-10-34-19/h1-12H,(H,28,30,31).
What are the key properties of 2-phenyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethoxy)quinoline-4-carboxamide?
2-phenyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethoxy)quinoline-4-carboxamide has a molecular weight of 482.44 g/mol, XLogP of 6.16, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethoxy)quinoline-4-carboxamide is sourced from PubChem (CID 67204679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).