oxo-di(quinoxalin-6-yloxy)phosphanium

C16H10N4O3P+ — CID 67792811

IUPACoxo-di(quinoxalin-6-yloxy)phosphanium
SMILESO=[P+](Oc1ccc2nccnc2c1)Oc1ccc2nccnc2c1
InChIInChI=1S/C16H10N4O3P/c21-24(22-11-1-3-13-15(9-11)19-7-5-17-13)23-12-2-4-14-16(10-12)20-8-6-18-14/h1-10H/q+1
InChIKeySTFXKQGZTFNOAQ-UHFFFAOYSA-N
MW337.26 g/mol
LogP3.69
Rot. Bonds4

About oxo-di(quinoxalin-6-yloxy)phosphanium

oxo-di(quinoxalin-6-yloxy)phosphanium (PubChem CID 67792811) has the molecular formula C16H10N4O3P+ and a molecular weight of 337.26 g/mol. Its IUPAC name is oxo-di(quinoxalin-6-yloxy)phosphanium.

Molecular Properties

Compound Nameoxo-di(quinoxalin-6-yloxy)phosphanium
PubChem CID67792811
Molecular FormulaC16H10N4O3P+
Molecular Weight337.26 g/mol
Exact Mass337.05
IUPAC Nameoxo-di(quinoxalin-6-yloxy)phosphanium
SMILESO=[P+](Oc1ccc2nccnc2c1)Oc1ccc2nccnc2c1
InChIInChI=1S/C16H10N4O3P/c21-24(22-11-1-3-13-15(9-11)19-7-5-17-13)23-12-2-4-14-16(10-12)20-8-6-18-14/h1-10H/q+1
InChIKeySTFXKQGZTFNOAQ-UHFFFAOYSA-N
XLogP3.69
TPSA87.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.26
LogP ≤ 53.69
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 oxo-di(quinoxalin-6-yloxy)phosphanium?
The IUPAC name of oxo-di(quinoxalin-6-yloxy)phosphanium (CID 67792811) is oxo-di(quinoxalin-6-yloxy)phosphanium.
What is the SMILES notation for oxo-di(quinoxalin-6-yloxy)phosphanium?
The canonical SMILES for oxo-di(quinoxalin-6-yloxy)phosphanium is O=[P+](Oc1ccc2nccnc2c1)Oc1ccc2nccnc2c1.
What is the InChIKey of oxo-di(quinoxalin-6-yloxy)phosphanium?
The InChIKey is STFXKQGZTFNOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4O3P/c21-24(22-11-1-3-13-15(9-11)19-7-5-17-13)23-12-2-4-14-16(10-12)20-8-6-18-14/h1-10H/q+1.
What are the key properties of oxo-di(quinoxalin-6-yloxy)phosphanium?
oxo-di(quinoxalin-6-yloxy)phosphanium has a molecular weight of 337.26 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-di(quinoxalin-6-yloxy)phosphanium is sourced from PubChem (CID 67792811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).