4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1H-quinolin-2-one

C16H11N3O3S — CID 644640

IUPAC4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1H-quinolin-2-one
SMILESO=c1cc(CSc2nnc(-c3ccco3)o2)c2ccccc2[nH]1
InChIInChI=1S/C16H11N3O3S/c20-14-8-10(11-4-1-2-5-12(11)17-14)9-23-16-19-18-15(22-16)13-6-3-7-21-13/h1-8H,9H2,(H,17,20)
InChIKeyAEHKYWNJLSGFDM-UHFFFAOYSA-N
MW325.35 g/mol
LogP3.46
Rot. Bonds4

About 4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1H-quinolin-2-one

4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1H-quinolin-2-one (PubChem CID 644640) has the molecular formula C16H11N3O3S and a molecular weight of 325.35 g/mol. Its IUPAC name is 4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1H-quinolin-2-one
PubChem CID644640
Molecular FormulaC16H11N3O3S
Molecular Weight325.35 g/mol
Exact Mass325.05
IUPAC Name4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1H-quinolin-2-one
SMILESO=c1cc(CSc2nnc(-c3ccco3)o2)c2ccccc2[nH]1
InChIInChI=1S/C16H11N3O3S/c20-14-8-10(11-4-1-2-5-12(11)17-14)9-23-16-19-18-15(22-16)13-6-3-7-21-13/h1-8H,9H2,(H,17,20)
InChIKeyAEHKYWNJLSGFDM-UHFFFAOYSA-N
XLogP3.46
TPSA84.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1H-quinolin-2-one?
The IUPAC name of 4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1H-quinolin-2-one (CID 644640) is 4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1H-quinolin-2-one.
What is the SMILES notation for 4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1H-quinolin-2-one?
The canonical SMILES for 4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1H-quinolin-2-one is O=c1cc(CSc2nnc(-c3ccco3)o2)c2ccccc2[nH]1.
What is the InChIKey of 4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1H-quinolin-2-one?
The InChIKey is AEHKYWNJLSGFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O3S/c20-14-8-10(11-4-1-2-5-12(11)17-14)9-23-16-19-18-15(22-16)13-6-3-7-21-13/h1-8H,9H2,(H,17,20).
What are the key properties of 4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1H-quinolin-2-one?
4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1H-quinolin-2-one has a molecular weight of 325.35 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1H-quinolin-2-one is sourced from PubChem (CID 644640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).