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

C20H12N4O3S — CID 4253237

IUPACN-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide
SMILESO=C(Nc1nnc(-c2ccco2)o1)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C20H12N4O3S/c25-18(22-20-24-23-19(27-20)16-7-3-9-26-16)13-11-15(17-8-4-10-28-17)21-14-6-2-1-5-12(13)14/h1-11H,(H,22,24,25)
InChIKeyIOAQXGPRIIINNI-UHFFFAOYSA-N
MW388.41 g/mol
LogP4.86
Rot. Bonds4

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

N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide (PubChem CID 4253237) has the molecular formula C20H12N4O3S and a molecular weight of 388.41 g/mol. Its IUPAC name is N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide
PubChem CID4253237
Molecular FormulaC20H12N4O3S
Molecular Weight388.41 g/mol
Exact Mass388.06
IUPAC NameN-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide
SMILESO=C(Nc1nnc(-c2ccco2)o1)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C20H12N4O3S/c25-18(22-20-24-23-19(27-20)16-7-3-9-26-16)13-11-15(17-8-4-10-28-17)21-14-6-2-1-5-12(13)14/h1-11H,(H,22,24,25)
InChIKeyIOAQXGPRIIINNI-UHFFFAOYSA-N
XLogP4.86
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.41
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Quinoline carboxamide derivative 1
CID 4253236
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(thiophen-2-yl)quinoline-4-carboxamide
CID 5111944
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-piperidin-1-ylquinoline-4-carboxamide
CID 44608079
N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-phenylquinoline-4-carboxamide
CID 44610292
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]quinoline-4-carboxamide
CID 53317135
N-[5-(2-Furyl)-1,3,4-oxadiazol-2-yl]-2-(1-naphthyl)-4-quinolinecarboxamide
CID 53318421
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-pyridin-2-ylquinoline-4-carboxamide
CID 53318975
2-chloro-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]quinoline-4-carboxamide
CID 53319753
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 53321047
2-(2-Furyl)-N-[5-(2-furyl)-1,3,4-oxadiazol-2-yl]-4-quinolinecarboxamide
CID 53321048
Quinoline carboxamide derivative 3
CID 67204713
Quinoline carboxamide derivative 2
CID 67206397

Frequently Asked Questions

What is the IUPAC name of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide?
The IUPAC name of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide (CID 4253237) is N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide is O=C(Nc1nnc(-c2ccco2)o1)c1cc(-c2cccs2)nc2ccccc12.
What is the InChIKey of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide?
The InChIKey is IOAQXGPRIIINNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N4O3S/c25-18(22-20-24-23-19(27-20)16-7-3-9-26-16)13-11-15(17-8-4-10-28-17)21-14-6-2-1-5-12(13)14/h1-11H,(H,22,24,25).
What are the key properties of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide?
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide has a molecular weight of 388.41 g/mol, XLogP of 4.86, 4 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-thiophen-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 4253237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).