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

C20H12N4O4 — CID 53321048

IUPAC2-(furan-2-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]quinoline-4-carboxamide
SMILESO=C(Nc1nnc(-c2ccco2)o1)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C20H12N4O4/c25-18(22-20-24-23-19(28-20)17-8-4-10-27-17)13-11-15(16-7-3-9-26-16)21-14-6-2-1-5-12(13)14/h1-11H,(H,22,24,25)
InChIKeyDDJUZGVFWXNTJC-UHFFFAOYSA-N
MW372.34 g/mol
LogP4.39
Rot. Bonds4

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

2-(furan-2-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]quinoline-4-carboxamide (PubChem CID 53321048) has the molecular formula C20H12N4O4 and a molecular weight of 372.34 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(furan-2-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]quinoline-4-carboxamide
PubChem CID53321048
Molecular FormulaC20H12N4O4
Molecular Weight372.34 g/mol
Exact Mass372.09
IUPAC Name2-(furan-2-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]quinoline-4-carboxamide
SMILESO=C(Nc1nnc(-c2ccco2)o1)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C20H12N4O4/c25-18(22-20-24-23-19(28-20)17-8-4-10-27-17)13-11-15(16-7-3-9-26-16)21-14-6-2-1-5-12(13)14/h1-11H,(H,22,24,25)
InChIKeyDDJUZGVFWXNTJC-UHFFFAOYSA-N
XLogP4.39
TPSA107.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.34
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]quinoline-4-carboxamide?
The IUPAC name of 2-(furan-2-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]quinoline-4-carboxamide (CID 53321048) is 2-(furan-2-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(furan-2-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]quinoline-4-carboxamide?
The canonical SMILES for 2-(furan-2-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]quinoline-4-carboxamide is O=C(Nc1nnc(-c2ccco2)o1)c1cc(-c2ccco2)nc2ccccc12.
What is the InChIKey of 2-(furan-2-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]quinoline-4-carboxamide?
The InChIKey is DDJUZGVFWXNTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N4O4/c25-18(22-20-24-23-19(28-20)17-8-4-10-27-17)13-11-15(16-7-3-9-26-16)21-14-6-2-1-5-12(13)14/h1-11H,(H,22,24,25).
What are the key properties of 2-(furan-2-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]quinoline-4-carboxamide?
2-(furan-2-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]quinoline-4-carboxamide has a molecular weight of 372.34 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]quinoline-4-carboxamide is sourced from PubChem (CID 53321048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).