5-diethoxyphosphorylquinoxaline

C12H15N2O3P — CID 57308706

IUPAC5-diethoxyphosphorylquinoxaline
SMILESCCOP(=O)(OCC)c1cccc2nccnc12
InChIInChI=1S/C12H15N2O3P/c1-3-16-18(15,17-4-2)11-7-5-6-10-12(11)14-9-8-13-10/h5-9H,3-4H2,1-2H3
InChIKeyYVJWXADGPXYRIH-UHFFFAOYSA-N
MW266.24 g/mol
LogP2.52
Rot. Bonds5

About 5-diethoxyphosphorylquinoxaline

5-diethoxyphosphorylquinoxaline (PubChem CID 57308706) has the molecular formula C12H15N2O3P and a molecular weight of 266.24 g/mol. Its IUPAC name is 5-diethoxyphosphorylquinoxaline.

Molecular Properties

Compound Name5-diethoxyphosphorylquinoxaline
PubChem CID57308706
Molecular FormulaC12H15N2O3P
Molecular Weight266.24 g/mol
Exact Mass266.08
IUPAC Name5-diethoxyphosphorylquinoxaline
SMILESCCOP(=O)(OCC)c1cccc2nccnc12
InChIInChI=1S/C12H15N2O3P/c1-3-16-18(15,17-4-2)11-7-5-6-10-12(11)14-9-8-13-10/h5-9H,3-4H2,1-2H3
InChIKeyYVJWXADGPXYRIH-UHFFFAOYSA-N
XLogP2.52
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.24
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-diethoxyphosphorylquinoxaline?
The IUPAC name of 5-diethoxyphosphorylquinoxaline (CID 57308706) is 5-diethoxyphosphorylquinoxaline.
What is the SMILES notation for 5-diethoxyphosphorylquinoxaline?
The canonical SMILES for 5-diethoxyphosphorylquinoxaline is CCOP(=O)(OCC)c1cccc2nccnc12.
What is the InChIKey of 5-diethoxyphosphorylquinoxaline?
The InChIKey is YVJWXADGPXYRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N2O3P/c1-3-16-18(15,17-4-2)11-7-5-6-10-12(11)14-9-8-13-10/h5-9H,3-4H2,1-2H3.
What are the key properties of 5-diethoxyphosphorylquinoxaline?
5-diethoxyphosphorylquinoxaline has a molecular weight of 266.24 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-diethoxyphosphorylquinoxaline is sourced from PubChem (CID 57308706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).