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

C20H13N3O2 — CID 69456681

IUPAC8-(furan-2-yl)-5-phenyl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
SMILESO=c1[nH]nc2cc(-c3ccccc3)c3ccc(-c4ccco4)cc3n12
InChIInChI=1S/C20H13N3O2/c24-20-22-21-19-12-16(13-5-2-1-3-6-13)15-9-8-14(11-17(15)23(19)20)18-7-4-10-25-18/h1-12H,(H,22,24)
InChIKeyAKJJUOFBVLTGDA-UHFFFAOYSA-N
MW327.34 g/mol
LogP4.10
Rot. Bonds2

About 8-(furan-2-yl)-5-phenyl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one

8-(furan-2-yl)-5-phenyl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one (PubChem CID 69456681) has the molecular formula C20H13N3O2 and a molecular weight of 327.34 g/mol. Its IUPAC name is 8-(furan-2-yl)-5-phenyl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one.

Molecular Properties

Compound Name8-(furan-2-yl)-5-phenyl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
PubChem CID69456681
Molecular FormulaC20H13N3O2
Molecular Weight327.34 g/mol
Exact Mass327.10
IUPAC Name8-(furan-2-yl)-5-phenyl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
SMILESO=c1[nH]nc2cc(-c3ccccc3)c3ccc(-c4ccco4)cc3n12
InChIInChI=1S/C20H13N3O2/c24-20-22-21-19-12-16(13-5-2-1-3-6-13)15-9-8-14(11-17(15)23(19)20)18-7-4-10-25-18/h1-12H,(H,22,24)
InChIKeyAKJJUOFBVLTGDA-UHFFFAOYSA-N
XLogP4.10
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(furan-2-yl)-5-phenyl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
The IUPAC name of 8-(furan-2-yl)-5-phenyl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one (CID 69456681) is 8-(furan-2-yl)-5-phenyl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one.
What is the SMILES notation for 8-(furan-2-yl)-5-phenyl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
The canonical SMILES for 8-(furan-2-yl)-5-phenyl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one is O=c1[nH]nc2cc(-c3ccccc3)c3ccc(-c4ccco4)cc3n12.
What is the InChIKey of 8-(furan-2-yl)-5-phenyl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
The InChIKey is AKJJUOFBVLTGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N3O2/c24-20-22-21-19-12-16(13-5-2-1-3-6-13)15-9-8-14(11-17(15)23(19)20)18-7-4-10-25-18/h1-12H,(H,22,24).
What are the key properties of 8-(furan-2-yl)-5-phenyl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
8-(furan-2-yl)-5-phenyl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one has a molecular weight of 327.34 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(furan-2-yl)-5-phenyl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one is sourced from PubChem (CID 69456681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).