ethyl 2-[(6-ethyl-7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl-methylamino]acetate

C16H20N4O6 — CID 10522778

IUPACethyl 2-[(6-ethyl-7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl-methylamino]acetate
SMILESCCOC(=O)CN(C)Cc1c(CC)c([N+](=O)[O-])cc2[nH]c(=O)c(=O)[nH]c12
InChIInChI=1S/C16H20N4O6/c1-4-9-10(7-19(3)8-13(21)26-5-2)14-11(6-12(9)20(24)25)17-15(22)16(23)18-14/h6H,4-5,7-8H2,1-3H3,(H,17,22)(H,18,23)
InChIKeyDVKDTKVRVXOOED-UHFFFAOYSA-N
MW364.36 g/mol
LogP0.68
Rot. Bonds7

About ethyl 2-[(6-ethyl-7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl-methylamino]acetate

ethyl 2-[(6-ethyl-7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl-methylamino]acetate (PubChem CID 10522778) has the molecular formula C16H20N4O6 and a molecular weight of 364.36 g/mol. Its IUPAC name is ethyl 2-[(6-ethyl-7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl-methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(6-ethyl-7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl-methylamino]acetate
PubChem CID10522778
Molecular FormulaC16H20N4O6
Molecular Weight364.36 g/mol
Exact Mass364.14
IUPAC Nameethyl 2-[(6-ethyl-7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl-methylamino]acetate
SMILESCCOC(=O)CN(C)Cc1c(CC)c([N+](=O)[O-])cc2[nH]c(=O)c(=O)[nH]c12
InChIInChI=1S/C16H20N4O6/c1-4-9-10(7-19(3)8-13(21)26-5-2)14-11(6-12(9)20(24)25)17-15(22)16(23)18-14/h6H,4-5,7-8H2,1-3H3,(H,17,22)(H,18,23)
InChIKeyDVKDTKVRVXOOED-UHFFFAOYSA-N
XLogP0.68
TPSA138.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl 2-[(6-ethyl-7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl-methylamino]acetate 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 ethyl 2-[(6-ethyl-7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl-methylamino]acetate?
The IUPAC name of ethyl 2-[(6-ethyl-7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl-methylamino]acetate (CID 10522778) is ethyl 2-[(6-ethyl-7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl-methylamino]acetate.
What is the SMILES notation for ethyl 2-[(6-ethyl-7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl-methylamino]acetate?
The canonical SMILES for ethyl 2-[(6-ethyl-7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl-methylamino]acetate is CCOC(=O)CN(C)Cc1c(CC)c([N+](=O)[O-])cc2[nH]c(=O)c(=O)[nH]c12.
What is the InChIKey of ethyl 2-[(6-ethyl-7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl-methylamino]acetate?
The InChIKey is DVKDTKVRVXOOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O6/c1-4-9-10(7-19(3)8-13(21)26-5-2)14-11(6-12(9)20(24)25)17-15(22)16(23)18-14/h6H,4-5,7-8H2,1-3H3,(H,17,22)(H,18,23).
What are the key properties of ethyl 2-[(6-ethyl-7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl-methylamino]acetate?
ethyl 2-[(6-ethyl-7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl-methylamino]acetate has a molecular weight of 364.36 g/mol, XLogP of 0.68, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(6-ethyl-7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl-methylamino]acetate is sourced from PubChem (CID 10522778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).