7-chloro-4-(2-hydroxyethyl)-1H-quinoxaline-2,3-dione

C10H9ClN2O3 — CID 19827793

IUPAC7-chloro-4-(2-hydroxyethyl)-1H-quinoxaline-2,3-dione
SMILESO=c1[nH]c2cc(Cl)ccc2n(CCO)c1=O
InChIInChI=1S/C10H9ClN2O3/c11-6-1-2-8-7(5-6)12-9(15)10(16)13(8)3-4-14/h1-2,5,14H,3-4H2,(H,12,15)
InChIKeyUMHADKWHBLAYPD-UHFFFAOYSA-N
MW240.65 g/mol
LogP0.34
Rot. Bonds2

About 7-chloro-4-(2-hydroxyethyl)-1H-quinoxaline-2,3-dione

7-chloro-4-(2-hydroxyethyl)-1H-quinoxaline-2,3-dione (PubChem CID 19827793) has the molecular formula C10H9ClN2O3 and a molecular weight of 240.65 g/mol. Its IUPAC name is 7-chloro-4-(2-hydroxyethyl)-1H-quinoxaline-2,3-dione.

Molecular Properties

Compound Name7-chloro-4-(2-hydroxyethyl)-1H-quinoxaline-2,3-dione
PubChem CID19827793
Molecular FormulaC10H9ClN2O3
Molecular Weight240.65 g/mol
Exact Mass240.03
IUPAC Name7-chloro-4-(2-hydroxyethyl)-1H-quinoxaline-2,3-dione
SMILESO=c1[nH]c2cc(Cl)ccc2n(CCO)c1=O
InChIInChI=1S/C10H9ClN2O3/c11-6-1-2-8-7(5-6)12-9(15)10(16)13(8)3-4-14/h1-2,5,14H,3-4H2,(H,12,15)
InChIKeyUMHADKWHBLAYPD-UHFFFAOYSA-N
XLogP0.34
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.65
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-(2-hydroxyethyl)-1H-quinoxaline-2,3-dione?
The IUPAC name of 7-chloro-4-(2-hydroxyethyl)-1H-quinoxaline-2,3-dione (CID 19827793) is 7-chloro-4-(2-hydroxyethyl)-1H-quinoxaline-2,3-dione.
What is the SMILES notation for 7-chloro-4-(2-hydroxyethyl)-1H-quinoxaline-2,3-dione?
The canonical SMILES for 7-chloro-4-(2-hydroxyethyl)-1H-quinoxaline-2,3-dione is O=c1[nH]c2cc(Cl)ccc2n(CCO)c1=O.
What is the InChIKey of 7-chloro-4-(2-hydroxyethyl)-1H-quinoxaline-2,3-dione?
The InChIKey is UMHADKWHBLAYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O3/c11-6-1-2-8-7(5-6)12-9(15)10(16)13(8)3-4-14/h1-2,5,14H,3-4H2,(H,12,15).
What are the key properties of 7-chloro-4-(2-hydroxyethyl)-1H-quinoxaline-2,3-dione?
7-chloro-4-(2-hydroxyethyl)-1H-quinoxaline-2,3-dione has a molecular weight of 240.65 g/mol, XLogP of 0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-(2-hydroxyethyl)-1H-quinoxaline-2,3-dione is sourced from PubChem (CID 19827793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).