[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] quinoxaline-2-carboxylate

C16H11ClN4O3 — CID 23773548

IUPAC[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] quinoxaline-2-carboxylate
SMILESO=C(COC(=O)c1cnc2ccccc2n1)Nc1ccc(Cl)cn1
InChIInChI=1S/C16H11ClN4O3/c17-10-5-6-14(19-7-10)21-15(22)9-24-16(23)13-8-18-11-3-1-2-4-12(11)20-13/h1-8H,9H2,(H,19,21,22)
InChIKeyGHKJWDBYSHACCP-UHFFFAOYSA-N
MW342.74 g/mol
LogP2.47
Rot. Bonds4

About [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] quinoxaline-2-carboxylate

[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] quinoxaline-2-carboxylate (PubChem CID 23773548) has the molecular formula C16H11ClN4O3 and a molecular weight of 342.74 g/mol. Its IUPAC name is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] quinoxaline-2-carboxylate.

Molecular Properties

Compound Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] quinoxaline-2-carboxylate
PubChem CID23773548
Molecular FormulaC16H11ClN4O3
Molecular Weight342.74 g/mol
Exact Mass342.05
IUPAC Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] quinoxaline-2-carboxylate
SMILESO=C(COC(=O)c1cnc2ccccc2n1)Nc1ccc(Cl)cn1
InChIInChI=1S/C16H11ClN4O3/c17-10-5-6-14(19-7-10)21-15(22)9-24-16(23)13-8-18-11-3-1-2-4-12(11)20-13/h1-8H,9H2,(H,19,21,22)
InChIKeyGHKJWDBYSHACCP-UHFFFAOYSA-N
XLogP2.47
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.74
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[(5-chloro-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] quinoxaline-2-carboxylate
CID 23859831
[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-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7210519
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 1H-indole-3-carboxylate
CID 7492901
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,3-dichlorobenzoate
CID 2617414
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-chlorobenzoate
CID 2479152
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,4-dichlorobenzoate
CID 7873014
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,4-dihydroxybenzoate
CID 7870707
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3H-benzimidazole-5-carboxylate
CID 23887686
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,3-dimethylbenzoate
CID 2545119
[2-(4-bromo-3-methylanilino)-2-oxoethyl] quinoxaline-2-carboxylate
CID 30031003

Frequently Asked Questions

What is the IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] quinoxaline-2-carboxylate?
The IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] quinoxaline-2-carboxylate (CID 23773548) is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] quinoxaline-2-carboxylate.
What is the SMILES notation for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] quinoxaline-2-carboxylate?
The canonical SMILES for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] quinoxaline-2-carboxylate is O=C(COC(=O)c1cnc2ccccc2n1)Nc1ccc(Cl)cn1.
What is the InChIKey of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] quinoxaline-2-carboxylate?
The InChIKey is GHKJWDBYSHACCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4O3/c17-10-5-6-14(19-7-10)21-15(22)9-24-16(23)13-8-18-11-3-1-2-4-12(11)20-13/h1-8H,9H2,(H,19,21,22).
What are the key properties of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] quinoxaline-2-carboxylate?
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] quinoxaline-2-carboxylate has a molecular weight of 342.74 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] quinoxaline-2-carboxylate is sourced from PubChem (CID 23773548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).