[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] pyridine-3-carboxylate

C18H17N3O4 — CID 9389751

IUPAC[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] pyridine-3-carboxylate
SMILESCC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)c1cccnc1
InChIInChI=1S/C18H17N3O4/c1-18(2)17(24)20-13-7-3-4-8-14(13)21(18)15(22)11-25-16(23)12-6-5-9-19-10-12/h3-10H,11H2,1-2H3,(H,20,24)
InChIKeyDKMPAVPZCHYPBI-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.00
Rot. Bonds3

About [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] pyridine-3-carboxylate

[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] pyridine-3-carboxylate (PubChem CID 9389751) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] pyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] pyridine-3-carboxylate
PubChem CID9389751
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] pyridine-3-carboxylate
SMILESCC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)c1cccnc1
InChIInChI=1S/C18H17N3O4/c1-18(2)17(24)20-13-7-3-4-8-14(13)21(18)15(22)11-25-16(23)12-6-5-9-19-10-12/h3-10H,11H2,1-2H3,(H,20,24)
InChIKeyDKMPAVPZCHYPBI-UHFFFAOYSA-N
XLogP2.00
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] pyridine-3-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-Methylanilino)-2-oxoethyl] pyridine-3-carboxylate
CID 847689
[2-Oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 1-methylpyrrole-2-carboxylate
CID 2411157
[2-(2,5-Dimethylanilino)-2-oxoethyl] 1-oxidopyridin-1-ium-3-carboxylate
CID 2429249
(2-Oxo-1,2-dihydroquinolin-3-yl)methyl pyridine-3-carboxylate
CID 663730
Pyridin-3-ylmethyl 2-[4-[(2-aminophenyl)carbamoyl]anilino]acetate
CID 44560970
Nicotinic acid (4-fluoro-phenylcarbamoyl)-methyl ester
CID 656057
2-Oxo-2-(3-oxo-1,2,3,4-tetrahydroquinoxalin-1-yl)ethyl 5,6-dichloropyridine-3-carboxylate
CID 2094846
[2-[2-Morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 2333994
[2-Oxo-2-(4-piperidin-1-ylanilino)ethyl] 2-chloropyridine-3-carboxylate
CID 2365011
{[4-(Morpholin-4-yl)phenyl]carbamoyl}methyl 6-chloropyridine-3-carboxylate
CID 2417505
[2-Oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2,5-dimethyl-1-phenylpyrrole-3-carboxylate
CID 2462624
[1-[(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] pyridine-3-carboxylate
CID 4070511

Frequently Asked Questions

What is the IUPAC name of [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] pyridine-3-carboxylate?
The IUPAC name of [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] pyridine-3-carboxylate (CID 9389751) is [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] pyridine-3-carboxylate.
What is the SMILES notation for [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] pyridine-3-carboxylate?
The canonical SMILES for [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] pyridine-3-carboxylate is CC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)c1cccnc1.
What is the InChIKey of [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] pyridine-3-carboxylate?
The InChIKey is DKMPAVPZCHYPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-18(2)17(24)20-13-7-3-4-8-14(13)21(18)15(22)11-25-16(23)12-6-5-9-19-10-12/h3-10H,11H2,1-2H3,(H,20,24).
What are the key properties of [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] pyridine-3-carboxylate?
[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] pyridine-3-carboxylate has a molecular weight of 339.35 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] pyridine-3-carboxylate is sourced from PubChem (CID 9389751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).