7-chloro-4-oxo-8-pyrrol-1-yl-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid

C14H8ClN5O3 — CID 11724145

IUPAC7-chloro-4-oxo-8-pyrrol-1-yl-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
SMILESO=C(O)c1nc2c(=O)[nH]c3cc(Cl)c(-n4cccc4)cc3n2n1
InChIInChI=1S/C14H8ClN5O3/c15-7-5-8-10(6-9(7)19-3-1-2-4-19)20-12(13(21)16-8)17-11(18-20)14(22)23/h1-6H,(H,16,21)(H,22,23)
InChIKeyLBRZSCJIEHCPKW-UHFFFAOYSA-N
MW329.70 g/mol
LogP1.71
Rot. Bonds2

About 7-chloro-4-oxo-8-pyrrol-1-yl-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid

7-chloro-4-oxo-8-pyrrol-1-yl-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid (PubChem CID 11724145) has the molecular formula C14H8ClN5O3 and a molecular weight of 329.70 g/mol. Its IUPAC name is 7-chloro-4-oxo-8-pyrrol-1-yl-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid.

Molecular Properties

Compound Name7-chloro-4-oxo-8-pyrrol-1-yl-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
PubChem CID11724145
Molecular FormulaC14H8ClN5O3
Molecular Weight329.70 g/mol
Exact Mass329.03
IUPAC Name7-chloro-4-oxo-8-pyrrol-1-yl-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
SMILESO=C(O)c1nc2c(=O)[nH]c3cc(Cl)c(-n4cccc4)cc3n2n1
InChIInChI=1S/C14H8ClN5O3/c15-7-5-8-10(6-9(7)19-3-1-2-4-19)20-12(13(21)16-8)17-11(18-20)14(22)23/h1-6H,(H,16,21)(H,22,23)
InChIKeyLBRZSCJIEHCPKW-UHFFFAOYSA-N
XLogP1.71
TPSA105.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.70
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-chloro-4-oxo-8-pyrrol-1-yl-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-oxo-8-pyrrol-1-yl-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid?
The IUPAC name of 7-chloro-4-oxo-8-pyrrol-1-yl-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid (CID 11724145) is 7-chloro-4-oxo-8-pyrrol-1-yl-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid.
What is the SMILES notation for 7-chloro-4-oxo-8-pyrrol-1-yl-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid?
The canonical SMILES for 7-chloro-4-oxo-8-pyrrol-1-yl-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid is O=C(O)c1nc2c(=O)[nH]c3cc(Cl)c(-n4cccc4)cc3n2n1.
What is the InChIKey of 7-chloro-4-oxo-8-pyrrol-1-yl-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid?
The InChIKey is LBRZSCJIEHCPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClN5O3/c15-7-5-8-10(6-9(7)19-3-1-2-4-19)20-12(13(21)16-8)17-11(18-20)14(22)23/h1-6H,(H,16,21)(H,22,23).
What are the key properties of 7-chloro-4-oxo-8-pyrrol-1-yl-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid?
7-chloro-4-oxo-8-pyrrol-1-yl-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid has a molecular weight of 329.70 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-oxo-8-pyrrol-1-yl-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid is sourced from PubChem (CID 11724145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).