4-amino-8-thiophen-2-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one

C14H10N4OS — CID 10468980

IUPAC4-amino-8-thiophen-2-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
SMILESNc1cc2ccc(-c3cccs3)cc2n2c(=O)[nH]nc12
InChIInChI=1S/C14H10N4OS/c15-10-6-8-3-4-9(12-2-1-5-20-12)7-11(8)18-13(10)16-17-14(18)19/h1-7H,15H2,(H,17,19)
InChIKeyAOLKZDJPMBJJBV-UHFFFAOYSA-N
MW282.33 g/mol
LogP2.49
Rot. Bonds1

About 4-amino-8-thiophen-2-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one

4-amino-8-thiophen-2-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one (PubChem CID 10468980) has the molecular formula C14H10N4OS and a molecular weight of 282.33 g/mol. Its IUPAC name is 4-amino-8-thiophen-2-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one.

Molecular Properties

Compound Name4-amino-8-thiophen-2-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
PubChem CID10468980
Molecular FormulaC14H10N4OS
Molecular Weight282.33 g/mol
Exact Mass282.06
IUPAC Name4-amino-8-thiophen-2-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
SMILESNc1cc2ccc(-c3cccs3)cc2n2c(=O)[nH]nc12
InChIInChI=1S/C14H10N4OS/c15-10-6-8-3-4-9(12-2-1-5-20-12)7-11(8)18-13(10)16-17-14(18)19/h1-7H,15H2,(H,17,19)
InChIKeyAOLKZDJPMBJJBV-UHFFFAOYSA-N
XLogP2.49
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-8-thiophen-2-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
The IUPAC name of 4-amino-8-thiophen-2-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one (CID 10468980) is 4-amino-8-thiophen-2-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one.
What is the SMILES notation for 4-amino-8-thiophen-2-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
The canonical SMILES for 4-amino-8-thiophen-2-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one is Nc1cc2ccc(-c3cccs3)cc2n2c(=O)[nH]nc12.
What is the InChIKey of 4-amino-8-thiophen-2-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
The InChIKey is AOLKZDJPMBJJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4OS/c15-10-6-8-3-4-9(12-2-1-5-20-12)7-11(8)18-13(10)16-17-14(18)19/h1-7H,15H2,(H,17,19).
What are the key properties of 4-amino-8-thiophen-2-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
4-amino-8-thiophen-2-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one has a molecular weight of 282.33 g/mol, XLogP of 2.49, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-thiophen-2-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one is sourced from PubChem (CID 10468980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).