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

C23H13F3N4O4 — CID 67204713

IUPACN-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenyl-6-(trifluoromethoxy)quinoline-4-carboxamide
SMILESO=C(Nc1nnc(-c2ccco2)o1)c1cc(-c2ccccc2)nc2ccc(OC(F)(F)F)cc12
InChIInChI=1S/C23H13F3N4O4/c24-23(25,26)34-14-8-9-17-15(11-14)16(12-18(27-17)13-5-2-1-3-6-13)20(31)28-22-30-29-21(33-22)19-7-4-10-32-19/h1-12H,(H,28,30,31)
InChIKeyOGCHQJNHUGTSIR-UHFFFAOYSA-N
MW466.38 g/mol
LogP5.70
Rot. Bonds5

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

N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenyl-6-(trifluoromethoxy)quinoline-4-carboxamide (PubChem CID 67204713) has the molecular formula C23H13F3N4O4 and a molecular weight of 466.38 g/mol. Its IUPAC name is N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenyl-6-(trifluoromethoxy)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenyl-6-(trifluoromethoxy)quinoline-4-carboxamide
PubChem CID67204713
Molecular FormulaC23H13F3N4O4
Molecular Weight466.38 g/mol
Exact Mass466.09
IUPAC NameN-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenyl-6-(trifluoromethoxy)quinoline-4-carboxamide
SMILESO=C(Nc1nnc(-c2ccco2)o1)c1cc(-c2ccccc2)nc2ccc(OC(F)(F)F)cc12
InChIInChI=1S/C23H13F3N4O4/c24-23(25,26)34-14-8-9-17-15(11-14)16(12-18(27-17)13-5-2-1-3-6-13)20(31)28-22-30-29-21(33-22)19-7-4-10-32-19/h1-12H,(H,28,30,31)
InChIKeyOGCHQJNHUGTSIR-UHFFFAOYSA-N
XLogP5.70
TPSA103.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.38
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenyl-6-(trifluoromethoxy)quinoline-4-carboxamide?
The IUPAC name of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenyl-6-(trifluoromethoxy)quinoline-4-carboxamide (CID 67204713) is N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenyl-6-(trifluoromethoxy)quinoline-4-carboxamide.
What is the SMILES notation for N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenyl-6-(trifluoromethoxy)quinoline-4-carboxamide?
The canonical SMILES for N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenyl-6-(trifluoromethoxy)quinoline-4-carboxamide is O=C(Nc1nnc(-c2ccco2)o1)c1cc(-c2ccccc2)nc2ccc(OC(F)(F)F)cc12.
What is the InChIKey of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenyl-6-(trifluoromethoxy)quinoline-4-carboxamide?
The InChIKey is OGCHQJNHUGTSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13F3N4O4/c24-23(25,26)34-14-8-9-17-15(11-14)16(12-18(27-17)13-5-2-1-3-6-13)20(31)28-22-30-29-21(33-22)19-7-4-10-32-19/h1-12H,(H,28,30,31).
What are the key properties of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenyl-6-(trifluoromethoxy)quinoline-4-carboxamide?
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenyl-6-(trifluoromethoxy)quinoline-4-carboxamide has a molecular weight of 466.38 g/mol, XLogP of 5.70, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenyl-6-(trifluoromethoxy)quinoline-4-carboxamide is sourced from PubChem (CID 67204713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).