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

C14H9N3O2 — CID 11776928

IUPAC5-(furan-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
SMILESO=c1[nH]nc2cc(-c3ccco3)c3ccccc3n12
InChIInChI=1S/C14H9N3O2/c18-14-16-15-13-8-10(12-6-3-7-19-12)9-4-1-2-5-11(9)17(13)14/h1-8H,(H,16,18)
InChIKeyUPMFZQWBXCNQDN-UHFFFAOYSA-N
MW251.25 g/mol
LogP2.44
Rot. Bonds1

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

5-(furan-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one (PubChem CID 11776928) has the molecular formula C14H9N3O2 and a molecular weight of 251.25 g/mol. Its IUPAC name is 5-(furan-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one.

Molecular Properties

Compound Name5-(furan-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
PubChem CID11776928
Molecular FormulaC14H9N3O2
Molecular Weight251.25 g/mol
Exact Mass251.07
IUPAC Name5-(furan-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
SMILESO=c1[nH]nc2cc(-c3ccco3)c3ccccc3n12
InChIInChI=1S/C14H9N3O2/c18-14-16-15-13-8-10(12-6-3-7-19-12)9-4-1-2-5-11(9)17(13)14/h1-8H,(H,16,18)
InChIKeyUPMFZQWBXCNQDN-UHFFFAOYSA-N
XLogP2.44
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
The IUPAC name of 5-(furan-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one (CID 11776928) is 5-(furan-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one.
What is the SMILES notation for 5-(furan-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
The canonical SMILES for 5-(furan-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one is O=c1[nH]nc2cc(-c3ccco3)c3ccccc3n12.
What is the InChIKey of 5-(furan-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
The InChIKey is UPMFZQWBXCNQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O2/c18-14-16-15-13-8-10(12-6-3-7-19-12)9-4-1-2-5-11(9)17(13)14/h1-8H,(H,16,18).
What are the key properties of 5-(furan-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
5-(furan-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one has a molecular weight of 251.25 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one is sourced from PubChem (CID 11776928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).