ethyl 2-[ethyl(quinoxaline-5-carbonyl)amino]acetate

C15H17N3O3 — CID 104577671

IUPACethyl 2-[ethyl(quinoxaline-5-carbonyl)amino]acetate
SMILESCCOC(=O)CN(CC)C(=O)c1cccc2nccnc12
InChIInChI=1S/C15H17N3O3/c1-3-18(10-13(19)21-4-2)15(20)11-6-5-7-12-14(11)17-9-8-16-12/h5-9H,3-4,10H2,1-2H3
InChIKeyRXXLQAMKPVDVIN-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.65
Rot. Bonds5

About ethyl 2-[ethyl(quinoxaline-5-carbonyl)amino]acetate

ethyl 2-[ethyl(quinoxaline-5-carbonyl)amino]acetate (PubChem CID 104577671) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is ethyl 2-[ethyl(quinoxaline-5-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[ethyl(quinoxaline-5-carbonyl)amino]acetate
PubChem CID104577671
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Nameethyl 2-[ethyl(quinoxaline-5-carbonyl)amino]acetate
SMILESCCOC(=O)CN(CC)C(=O)c1cccc2nccnc12
InChIInChI=1S/C15H17N3O3/c1-3-18(10-13(19)21-4-2)15(20)11-6-5-7-12-14(11)17-9-8-16-12/h5-9H,3-4,10H2,1-2H3
InChIKeyRXXLQAMKPVDVIN-UHFFFAOYSA-N
XLogP1.65
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[ethyl(quinoxaline-5-carbonyl)amino]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-[ethyl(quinoxaline-5-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[ethyl(quinoxaline-5-carbonyl)amino]acetate (CID 104577671) is ethyl 2-[ethyl(quinoxaline-5-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[ethyl(quinoxaline-5-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[ethyl(quinoxaline-5-carbonyl)amino]acetate is CCOC(=O)CN(CC)C(=O)c1cccc2nccnc12.
What is the InChIKey of ethyl 2-[ethyl(quinoxaline-5-carbonyl)amino]acetate?
The InChIKey is RXXLQAMKPVDVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-3-18(10-13(19)21-4-2)15(20)11-6-5-7-12-14(11)17-9-8-16-12/h5-9H,3-4,10H2,1-2H3.
What are the key properties of ethyl 2-[ethyl(quinoxaline-5-carbonyl)amino]acetate?
ethyl 2-[ethyl(quinoxaline-5-carbonyl)amino]acetate has a molecular weight of 287.32 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[ethyl(quinoxaline-5-carbonyl)amino]acetate is sourced from PubChem (CID 104577671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).