methyl 2-[(7-chloro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carbonyl)amino]acetate

C13H10ClN5O4 — CID 10759260

IUPACmethyl 2-[(7-chloro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1nc2c(=O)[nH]c3cc(Cl)ccc3n2n1
InChIInChI=1S/C13H10ClN5O4/c1-23-9(20)5-15-12(21)10-17-11-13(22)16-7-4-6(14)2-3-8(7)19(11)18-10/h2-4H,5H2,1H3,(H,15,21)(H,16,22)
InChIKeyDDSXWSYMHKYLIG-UHFFFAOYSA-N
MW335.71 g/mol
LogP0.13
Rot. Bonds3

About methyl 2-[(7-chloro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carbonyl)amino]acetate

methyl 2-[(7-chloro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carbonyl)amino]acetate (PubChem CID 10759260) has the molecular formula C13H10ClN5O4 and a molecular weight of 335.71 g/mol. Its IUPAC name is methyl 2-[(7-chloro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(7-chloro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carbonyl)amino]acetate
PubChem CID10759260
Molecular FormulaC13H10ClN5O4
Molecular Weight335.71 g/mol
Exact Mass335.04
IUPAC Namemethyl 2-[(7-chloro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1nc2c(=O)[nH]c3cc(Cl)ccc3n2n1
InChIInChI=1S/C13H10ClN5O4/c1-23-9(20)5-15-12(21)10-17-11-13(22)16-7-4-6(14)2-3-8(7)19(11)18-10/h2-4H,5H2,1H3,(H,15,21)(H,16,22)
InChIKeyDDSXWSYMHKYLIG-UHFFFAOYSA-N
XLogP0.13
TPSA118.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.71
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 2-[(7-chloro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carbonyl)amino]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(7-chloro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[(7-chloro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carbonyl)amino]acetate (CID 10759260) is methyl 2-[(7-chloro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[(7-chloro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[(7-chloro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carbonyl)amino]acetate is COC(=O)CNC(=O)c1nc2c(=O)[nH]c3cc(Cl)ccc3n2n1.
What is the InChIKey of methyl 2-[(7-chloro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carbonyl)amino]acetate?
The InChIKey is DDSXWSYMHKYLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN5O4/c1-23-9(20)5-15-12(21)10-17-11-13(22)16-7-4-6(14)2-3-8(7)19(11)18-10/h2-4H,5H2,1H3,(H,15,21)(H,16,22).
What are the key properties of methyl 2-[(7-chloro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carbonyl)amino]acetate?
methyl 2-[(7-chloro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carbonyl)amino]acetate has a molecular weight of 335.71 g/mol, XLogP of 0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(7-chloro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carbonyl)amino]acetate is sourced from PubChem (CID 10759260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).