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

C11H11N3O2 — CID 117031491

IUPAC1-(2-hydroxyethyl)-2-oxo-3,4-dihydroquinoxaline-6-carbonitrile
SMILESN#Cc1ccc2c(c1)NCC(=O)N2CCO
InChIInChI=1S/C11H11N3O2/c12-6-8-1-2-10-9(5-8)13-7-11(16)14(10)3-4-15/h1-2,5,13,15H,3-4,7H2
InChIKeyXYJRBGGLKHABKV-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.31
Rot. Bonds2

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

1-(2-hydroxyethyl)-2-oxo-3,4-dihydroquinoxaline-6-carbonitrile (PubChem CID 117031491) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-2-oxo-3,4-dihydroquinoxaline-6-carbonitrile.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-2-oxo-3,4-dihydroquinoxaline-6-carbonitrile
PubChem CID117031491
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name1-(2-hydroxyethyl)-2-oxo-3,4-dihydroquinoxaline-6-carbonitrile
SMILESN#Cc1ccc2c(c1)NCC(=O)N2CCO
InChIInChI=1S/C11H11N3O2/c12-6-8-1-2-10-9(5-8)13-7-11(16)14(10)3-4-15/h1-2,5,13,15H,3-4,7H2
InChIKeyXYJRBGGLKHABKV-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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-2-oxo-3,4-dihydroquinoxaline-6-carbonitrile?
The IUPAC name of 1-(2-hydroxyethyl)-2-oxo-3,4-dihydroquinoxaline-6-carbonitrile (CID 117031491) is 1-(2-hydroxyethyl)-2-oxo-3,4-dihydroquinoxaline-6-carbonitrile.
What is the SMILES notation for 1-(2-hydroxyethyl)-2-oxo-3,4-dihydroquinoxaline-6-carbonitrile?
The canonical SMILES for 1-(2-hydroxyethyl)-2-oxo-3,4-dihydroquinoxaline-6-carbonitrile is N#Cc1ccc2c(c1)NCC(=O)N2CCO.
What is the InChIKey of 1-(2-hydroxyethyl)-2-oxo-3,4-dihydroquinoxaline-6-carbonitrile?
The InChIKey is XYJRBGGLKHABKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c12-6-8-1-2-10-9(5-8)13-7-11(16)14(10)3-4-15/h1-2,5,13,15H,3-4,7H2.
What are the key properties of 1-(2-hydroxyethyl)-2-oxo-3,4-dihydroquinoxaline-6-carbonitrile?
1-(2-hydroxyethyl)-2-oxo-3,4-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 1-(2-hydroxyethyl)-2-oxo-3,4-dihydroquinoxaline-6-carbonitrile is sourced from PubChem (CID 117031491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).