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

C22H14N4O2S — CID 3274011

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

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

N-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide (PubChem CID 3274011) has the molecular formula C22H14N4O2S and a molecular weight of 398.45 g/mol. Its IUPAC name is N-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide
PubChem CID3274011
Molecular FormulaC22H14N4O2S
Molecular Weight398.45 g/mol
Exact Mass398.08
IUPAC NameN-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide
SMILESO=C(Nc1nnc(-c2ccccc2)o1)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C22H14N4O2S/c27-20(24-22-26-25-21(28-22)14-7-2-1-3-8-14)16-13-18(19-11-6-12-29-19)23-17-10-5-4-9-15(16)17/h1-13H,(H,24,26,27)
InChIKeyLTRWOPHBDJBIBD-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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Frequently Asked Questions

What is the IUPAC name of N-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide?
The IUPAC name of N-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide (CID 3274011) is N-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide is O=C(Nc1nnc(-c2ccccc2)o1)c1cc(-c2cccs2)nc2ccccc12.
What is the InChIKey of N-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide?
The InChIKey is LTRWOPHBDJBIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N4O2S/c27-20(24-22-26-25-21(28-22)14-7-2-1-3-8-14)16-13-18(19-11-6-12-29-19)23-17-10-5-4-9-15(16)17/h1-13H,(H,24,26,27).
What are the key properties of N-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide?
N-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-thiophen-2-ylquinoline-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 N-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 3274011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).