ethyl 6,7-dihydroquinoxaline-5-carboxylate

C11H12N2O2 — CID 141032576

IUPACethyl 6,7-dihydroquinoxaline-5-carboxylate
SMILESCCOC(=O)C1=c2nccnc2=CCC1
InChIInChI=1S/C11H12N2O2/c1-2-15-11(14)8-4-3-5-9-10(8)13-7-6-12-9/h5-7H,2-4H2,1H3
InChIKeyURLLJZIHGPQYOJ-UHFFFAOYSA-N
MW204.23 g/mol
LogP-0.24
Rot. Bonds2

About ethyl 6,7-dihydroquinoxaline-5-carboxylate

ethyl 6,7-dihydroquinoxaline-5-carboxylate (PubChem CID 141032576) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is ethyl 6,7-dihydroquinoxaline-5-carboxylate.

Molecular Properties

Compound Nameethyl 6,7-dihydroquinoxaline-5-carboxylate
PubChem CID141032576
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Nameethyl 6,7-dihydroquinoxaline-5-carboxylate
SMILESCCOC(=O)C1=c2nccnc2=CCC1
InChIInChI=1S/C11H12N2O2/c1-2-15-11(14)8-4-3-5-9-10(8)13-7-6-12-9/h5-7H,2-4H2,1H3
InChIKeyURLLJZIHGPQYOJ-UHFFFAOYSA-N
XLogP-0.24
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 5-0.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 6,7-dihydroquinoxaline-5-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

6,7-Dihydroquinoxaline-5-carboxylic acid
CID 70090059
2-Methyl-5,6-dihydro-3,1-benzoxazin-4-one
CID 118582039
ethyl 6H-1,4-benzodiazepine-7-carboxylate
CID 158339646

Frequently Asked Questions

What is the IUPAC name of ethyl 6,7-dihydroquinoxaline-5-carboxylate?
The IUPAC name of ethyl 6,7-dihydroquinoxaline-5-carboxylate (CID 141032576) is ethyl 6,7-dihydroquinoxaline-5-carboxylate.
What is the SMILES notation for ethyl 6,7-dihydroquinoxaline-5-carboxylate?
The canonical SMILES for ethyl 6,7-dihydroquinoxaline-5-carboxylate is CCOC(=O)C1=c2nccnc2=CCC1.
What is the InChIKey of ethyl 6,7-dihydroquinoxaline-5-carboxylate?
The InChIKey is URLLJZIHGPQYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-2-15-11(14)8-4-3-5-9-10(8)13-7-6-12-9/h5-7H,2-4H2,1H3.
What are the key properties of ethyl 6,7-dihydroquinoxaline-5-carboxylate?
ethyl 6,7-dihydroquinoxaline-5-carboxylate has a molecular weight of 204.23 g/mol, XLogP of -0.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6,7-dihydroquinoxaline-5-carboxylate is sourced from PubChem (CID 141032576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).