5-(dimethoxyphosphorylmethyl)-2,3-dimethoxyquinoxaline

C13H17N2O5P — CID 140987840

IUPAC5-(dimethoxyphosphorylmethyl)-2,3-dimethoxyquinoxaline
SMILESCOc1nc2cccc(CP(=O)(OC)OC)c2nc1OC
InChIInChI=1S/C13H17N2O5P/c1-17-12-13(18-2)15-11-9(6-5-7-10(11)14-12)8-21(16,19-3)20-4/h5-7H,8H2,1-4H3
InChIKeyXFLUNLJMYPWAAS-UHFFFAOYSA-N
MW312.26 g/mol
LogP2.63
Rot. Bonds6

About 5-(dimethoxyphosphorylmethyl)-2,3-dimethoxyquinoxaline

5-(dimethoxyphosphorylmethyl)-2,3-dimethoxyquinoxaline (PubChem CID 140987840) has the molecular formula C13H17N2O5P and a molecular weight of 312.26 g/mol. Its IUPAC name is 5-(dimethoxyphosphorylmethyl)-2,3-dimethoxyquinoxaline.

Molecular Properties

Compound Name5-(dimethoxyphosphorylmethyl)-2,3-dimethoxyquinoxaline
PubChem CID140987840
Molecular FormulaC13H17N2O5P
Molecular Weight312.26 g/mol
Exact Mass312.09
IUPAC Name5-(dimethoxyphosphorylmethyl)-2,3-dimethoxyquinoxaline
SMILESCOc1nc2cccc(CP(=O)(OC)OC)c2nc1OC
InChIInChI=1S/C13H17N2O5P/c1-17-12-13(18-2)15-11-9(6-5-7-10(11)14-12)8-21(16,19-3)20-4/h5-7H,8H2,1-4H3
InChIKeyXFLUNLJMYPWAAS-UHFFFAOYSA-N
XLogP2.63
TPSA79.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.26
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-(dimethoxyphosphorylmethyl)-2,3-dimethoxyquinoxaline?
The IUPAC name of 5-(dimethoxyphosphorylmethyl)-2,3-dimethoxyquinoxaline (CID 140987840) is 5-(dimethoxyphosphorylmethyl)-2,3-dimethoxyquinoxaline.
What is the SMILES notation for 5-(dimethoxyphosphorylmethyl)-2,3-dimethoxyquinoxaline?
The canonical SMILES for 5-(dimethoxyphosphorylmethyl)-2,3-dimethoxyquinoxaline is COc1nc2cccc(CP(=O)(OC)OC)c2nc1OC.
What is the InChIKey of 5-(dimethoxyphosphorylmethyl)-2,3-dimethoxyquinoxaline?
The InChIKey is XFLUNLJMYPWAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N2O5P/c1-17-12-13(18-2)15-11-9(6-5-7-10(11)14-12)8-21(16,19-3)20-4/h5-7H,8H2,1-4H3.
What are the key properties of 5-(dimethoxyphosphorylmethyl)-2,3-dimethoxyquinoxaline?
5-(dimethoxyphosphorylmethyl)-2,3-dimethoxyquinoxaline has a molecular weight of 312.26 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethoxyphosphorylmethyl)-2,3-dimethoxyquinoxaline is sourced from PubChem (CID 140987840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).