[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl] quinoxaline-2-carboxylate

C17H14N4O3 — CID 23859831

IUPAC[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl] quinoxaline-2-carboxylate
SMILESCc1ccnc(NC(=O)COC(=O)c2cnc3ccccc3n2)c1
InChIInChI=1S/C17H14N4O3/c1-11-6-7-18-15(8-11)21-16(22)10-24-17(23)14-9-19-12-4-2-3-5-13(12)20-14/h2-9H,10H2,1H3,(H,18,21,22)
InChIKeyKQXJIASOSHBDQA-UHFFFAOYSA-N
MW322.32 g/mol
LogP2.13
Rot. Bonds4

About [2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl] quinoxaline-2-carboxylate

[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl] quinoxaline-2-carboxylate (PubChem CID 23859831) has the molecular formula C17H14N4O3 and a molecular weight of 322.32 g/mol. Its IUPAC name is [2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl] quinoxaline-2-carboxylate.

Molecular Properties

Compound Name[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl] quinoxaline-2-carboxylate
PubChem CID23859831
Molecular FormulaC17H14N4O3
Molecular Weight322.32 g/mol
Exact Mass322.11
IUPAC Name[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl] quinoxaline-2-carboxylate
SMILESCc1ccnc(NC(=O)COC(=O)c2cnc3ccccc3n2)c1
InChIInChI=1S/C17H14N4O3/c1-11-6-7-18-15(8-11)21-16(22)10-24-17(23)14-9-19-12-4-2-3-5-13(12)20-14/h2-9H,10H2,1H3,(H,18,21,22)
InChIKeyKQXJIASOSHBDQA-UHFFFAOYSA-N
XLogP2.13
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl] quinoxaline-2-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 845169
[2-(4-bromo-3-methylanilino)-2-oxoethyl] quinoxaline-2-carboxylate
CID 30031003
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] quinoxaline-2-carboxylate
CID 23773548
[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] quinoxaline-2-carboxylate
CID 30030798
[2-(3-methylsulfanylanilino)-2-oxoethyl] quinoxaline-2-carboxylate
CID 30031478
ethyl quinoxaline-2-carboxylate
CID 582701
[2-(2,4-dimethoxyanilino)-2-oxoethyl] quinoxaline-2-carboxylate
CID 17417789
[2-oxo-2-(2-phenylanilino)ethyl] quinoxaline-2-carboxylate
CID 30031920
[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl] quinoxaline-2-carboxylate
CID 23859774
2-methoxy-N-(4-methyl-2-pyridinyl)acetamide
CID 23657944
ethyl quinoxaline-2-carboxylate;1H-pyrrole
CID 175129436
N-(4-methyl-2-pyridinyl)-2-phenylacetamide
CID 4232423

Frequently Asked Questions

What is the IUPAC name of [2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl] quinoxaline-2-carboxylate?
The IUPAC name of [2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl] quinoxaline-2-carboxylate (CID 23859831) is [2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl] quinoxaline-2-carboxylate.
What is the SMILES notation for [2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl] quinoxaline-2-carboxylate?
The canonical SMILES for [2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl] quinoxaline-2-carboxylate is Cc1ccnc(NC(=O)COC(=O)c2cnc3ccccc3n2)c1.
What is the InChIKey of [2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl] quinoxaline-2-carboxylate?
The InChIKey is KQXJIASOSHBDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O3/c1-11-6-7-18-15(8-11)21-16(22)10-24-17(23)14-9-19-12-4-2-3-5-13(12)20-14/h2-9H,10H2,1H3,(H,18,21,22).
What are the key properties of [2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl] quinoxaline-2-carboxylate?
[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl] quinoxaline-2-carboxylate has a molecular weight of 322.32 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl] quinoxaline-2-carboxylate is sourced from PubChem (CID 23859831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).