4-(2-hydroxyethyl)-2-oxo-1,3-dihydroquinoxaline-6-carbonitrile

C11H11N3O2 — CID 117031335

IUPAC4-(2-hydroxyethyl)-2-oxo-1,3-dihydroquinoxaline-6-carbonitrile
SMILESN#Cc1ccc2c(c1)N(CCO)CC(=O)N2
InChIInChI=1S/C11H11N3O2/c12-6-8-1-2-9-10(5-8)14(3-4-15)7-11(16)13-9/h1-2,5,15H,3-4,7H2,(H,13,16)
InChIKeyWXFMURLIDCUJIV-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.31
Rot. Bonds2

About 4-(2-hydroxyethyl)-2-oxo-1,3-dihydroquinoxaline-6-carbonitrile

4-(2-hydroxyethyl)-2-oxo-1,3-dihydroquinoxaline-6-carbonitrile (PubChem CID 117031335) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-2-oxo-1,3-dihydroquinoxaline-6-carbonitrile.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-2-oxo-1,3-dihydroquinoxaline-6-carbonitrile
PubChem CID117031335
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name4-(2-hydroxyethyl)-2-oxo-1,3-dihydroquinoxaline-6-carbonitrile
SMILESN#Cc1ccc2c(c1)N(CCO)CC(=O)N2
InChIInChI=1S/C11H11N3O2/c12-6-8-1-2-9-10(5-8)14(3-4-15)7-11(16)13-9/h1-2,5,15H,3-4,7H2,(H,13,16)
InChIKeyWXFMURLIDCUJIV-UHFFFAOYSA-N
XLogP0.31
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(2-hydroxyethyl)-2-oxo-1,3-dihydroquinoxaline-6-carbonitrile 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 4-(2-hydroxyethyl)-2-oxo-1,3-dihydroquinoxaline-6-carbonitrile?
The IUPAC name of 4-(2-hydroxyethyl)-2-oxo-1,3-dihydroquinoxaline-6-carbonitrile (CID 117031335) is 4-(2-hydroxyethyl)-2-oxo-1,3-dihydroquinoxaline-6-carbonitrile.
What is the SMILES notation for 4-(2-hydroxyethyl)-2-oxo-1,3-dihydroquinoxaline-6-carbonitrile?
The canonical SMILES for 4-(2-hydroxyethyl)-2-oxo-1,3-dihydroquinoxaline-6-carbonitrile is N#Cc1ccc2c(c1)N(CCO)CC(=O)N2.
What is the InChIKey of 4-(2-hydroxyethyl)-2-oxo-1,3-dihydroquinoxaline-6-carbonitrile?
The InChIKey is WXFMURLIDCUJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c12-6-8-1-2-9-10(5-8)14(3-4-15)7-11(16)13-9/h1-2,5,15H,3-4,7H2,(H,13,16).
What are the key properties of 4-(2-hydroxyethyl)-2-oxo-1,3-dihydroquinoxaline-6-carbonitrile?
4-(2-hydroxyethyl)-2-oxo-1,3-dihydroquinoxaline-6-carbonitrile has a molecular weight of 217.23 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-2-oxo-1,3-dihydroquinoxaline-6-carbonitrile is sourced from PubChem (CID 117031335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).