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

C22H14N4O2S — CID 2104460

IUPAC2-phenyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)quinoline-4-carboxamide
SMILESO=C(Nc1nnc(-c2cccs2)o1)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C22H14N4O2S/c27-20(24-22-26-25-21(28-22)19-11-6-12-29-19)16-13-18(14-7-2-1-3-8-14)23-17-10-5-4-9-15(16)17/h1-13H,(H,24,26,27)
InChIKeyWJHFADCPJAZZFS-UHFFFAOYSA-N
MW398.45 g/mol
LogP5.27
Rot. Bonds4

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

2-phenyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)quinoline-4-carboxamide (PubChem CID 2104460) has the molecular formula C22H14N4O2S and a molecular weight of 398.45 g/mol. Its IUPAC name is 2-phenyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)quinoline-4-carboxamide
PubChem CID2104460
Molecular FormulaC22H14N4O2S
Molecular Weight398.45 g/mol
Exact Mass398.08
IUPAC Name2-phenyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)quinoline-4-carboxamide
SMILESO=C(Nc1nnc(-c2cccs2)o1)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C22H14N4O2S/c27-20(24-22-26-25-21(28-22)19-11-6-12-29-19)16-13-18(14-7-2-1-3-8-14)23-17-10-5-4-9-15(16)17/h1-13H,(H,24,26,27)
InChIKeyWJHFADCPJAZZFS-UHFFFAOYSA-N
XLogP5.27
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.45
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 16821787
N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenylquinoline-4-carboxamide
CID 67204744
N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 4303105
2-iodo-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 4536716
N-(4-phenyl-1,3-thiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 2313908
N-(5-benzyl-1,3,4-oxadiazol-2-yl)-2-phenylquinoline-4-carboxamide
CID 53323751
2-bromo-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 4078289
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-(3-hydroxyphenyl)quinoline-4-carboxamide
CID 67204238
2-thiophen-2-yl-N-(2,4,6-trimethylphenyl)quinoline-4-carboxamide
CID 2385229
2-phenyl-N'-(thiophene-2-carbonyl)quinoline-4-carbohydrazide
CID 7600821
N-(2,6-dichlorophenyl)-2-phenylquinoline-4-carboxamide
CID 2259441
N-(2-methylsulfanylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 1261690

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)quinoline-4-carboxamide?
The IUPAC name of 2-phenyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)quinoline-4-carboxamide (CID 2104460) is 2-phenyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-phenyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-phenyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)quinoline-4-carboxamide is O=C(Nc1nnc(-c2cccs2)o1)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of 2-phenyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)quinoline-4-carboxamide?
The InChIKey is WJHFADCPJAZZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N4O2S/c27-20(24-22-26-25-21(28-22)19-11-6-12-29-19)16-13-18(14-7-2-1-3-8-14)23-17-10-5-4-9-15(16)17/h1-13H,(H,24,26,27).
What are the key properties of 2-phenyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)quinoline-4-carboxamide?
2-phenyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)quinoline-4-carboxamide has a molecular weight of 398.45 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 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)quinoline-4-carboxamide is sourced from PubChem (CID 2104460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).