N-methyl-3-oxo-N-(1H-pyrazol-4-yl)-4H-quinoxaline-6-carboxamide

C13H11N5O2 — CID 167767821

IUPACN-methyl-3-oxo-N-(1H-pyrazol-4-yl)-4H-quinoxaline-6-carboxamide
SMILESCN(C(=O)c1ccc2ncc(=O)[nH]c2c1)c1cn[nH]c1
InChIInChI=1S/C13H11N5O2/c1-18(9-5-15-16-6-9)13(20)8-2-3-10-11(4-8)17-12(19)7-14-10/h2-7H,1H3,(H,15,16)(H,17,19)
InChIKeyHWJCQTKPANSJRP-UHFFFAOYSA-N
MW269.26 g/mol
LogP0.92
Rot. Bonds2

About N-methyl-3-oxo-N-(1H-pyrazol-4-yl)-4H-quinoxaline-6-carboxamide

N-methyl-3-oxo-N-(1H-pyrazol-4-yl)-4H-quinoxaline-6-carboxamide (PubChem CID 167767821) has the molecular formula C13H11N5O2 and a molecular weight of 269.26 g/mol. Its IUPAC name is N-methyl-3-oxo-N-(1H-pyrazol-4-yl)-4H-quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-methyl-3-oxo-N-(1H-pyrazol-4-yl)-4H-quinoxaline-6-carboxamide
PubChem CID167767821
Molecular FormulaC13H11N5O2
Molecular Weight269.26 g/mol
Exact Mass269.09
IUPAC NameN-methyl-3-oxo-N-(1H-pyrazol-4-yl)-4H-quinoxaline-6-carboxamide
SMILESCN(C(=O)c1ccc2ncc(=O)[nH]c2c1)c1cn[nH]c1
InChIInChI=1S/C13H11N5O2/c1-18(9-5-15-16-6-9)13(20)8-2-3-10-11(4-8)17-12(19)7-14-10/h2-7H,1H3,(H,15,16)(H,17,19)
InChIKeyHWJCQTKPANSJRP-UHFFFAOYSA-N
XLogP0.92
TPSA94.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-methyl-3-oxo-N-(1H-pyrazol-4-yl)-4H-quinoxaline-6-carboxamide 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 N-methyl-3-oxo-N-(1H-pyrazol-4-yl)-4H-quinoxaline-6-carboxamide?
The IUPAC name of N-methyl-3-oxo-N-(1H-pyrazol-4-yl)-4H-quinoxaline-6-carboxamide (CID 167767821) is N-methyl-3-oxo-N-(1H-pyrazol-4-yl)-4H-quinoxaline-6-carboxamide.
What is the SMILES notation for N-methyl-3-oxo-N-(1H-pyrazol-4-yl)-4H-quinoxaline-6-carboxamide?
The canonical SMILES for N-methyl-3-oxo-N-(1H-pyrazol-4-yl)-4H-quinoxaline-6-carboxamide is CN(C(=O)c1ccc2ncc(=O)[nH]c2c1)c1cn[nH]c1.
What is the InChIKey of N-methyl-3-oxo-N-(1H-pyrazol-4-yl)-4H-quinoxaline-6-carboxamide?
The InChIKey is HWJCQTKPANSJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2/c1-18(9-5-15-16-6-9)13(20)8-2-3-10-11(4-8)17-12(19)7-14-10/h2-7H,1H3,(H,15,16)(H,17,19).
What are the key properties of N-methyl-3-oxo-N-(1H-pyrazol-4-yl)-4H-quinoxaline-6-carboxamide?
N-methyl-3-oxo-N-(1H-pyrazol-4-yl)-4H-quinoxaline-6-carboxamide has a molecular weight of 269.26 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-oxo-N-(1H-pyrazol-4-yl)-4H-quinoxaline-6-carboxamide is sourced from PubChem (CID 167767821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).