[5-[(3-methylquinoxalin-2-yl)oxymethyl]furan-2-yl] dihydrogen phosphite

C14H13N2O5P — CID 134294190

IUPAC[5-[(3-methylquinoxalin-2-yl)oxymethyl]furan-2-yl] dihydrogen phosphite
SMILESCc1nc2ccccc2nc1OCc1ccc(OP(O)O)o1
InChIInChI=1S/C14H13N2O5P/c1-9-14(16-12-5-3-2-4-11(12)15-9)19-8-10-6-7-13(20-10)21-22(17)18/h2-7,17-18H,8H2,1H3
InChIKeyVAIHHWMEWFNTIU-UHFFFAOYSA-N
MW320.24 g/mol
LogP2.70
Rot. Bonds5

About [5-[(3-methylquinoxalin-2-yl)oxymethyl]furan-2-yl] dihydrogen phosphite

[5-[(3-methylquinoxalin-2-yl)oxymethyl]furan-2-yl] dihydrogen phosphite (PubChem CID 134294190) has the molecular formula C14H13N2O5P and a molecular weight of 320.24 g/mol. Its IUPAC name is [5-[(3-methylquinoxalin-2-yl)oxymethyl]furan-2-yl] dihydrogen phosphite.

Molecular Properties

Compound Name[5-[(3-methylquinoxalin-2-yl)oxymethyl]furan-2-yl] dihydrogen phosphite
PubChem CID134294190
Molecular FormulaC14H13N2O5P
Molecular Weight320.24 g/mol
Exact Mass320.06
IUPAC Name[5-[(3-methylquinoxalin-2-yl)oxymethyl]furan-2-yl] dihydrogen phosphite
SMILESCc1nc2ccccc2nc1OCc1ccc(OP(O)O)o1
InChIInChI=1S/C14H13N2O5P/c1-9-14(16-12-5-3-2-4-11(12)15-9)19-8-10-6-7-13(20-10)21-22(17)18/h2-7,17-18H,8H2,1H3
InChIKeyVAIHHWMEWFNTIU-UHFFFAOYSA-N
XLogP2.70
TPSA97.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.24
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [5-[(3-methylquinoxalin-2-yl)oxymethyl]furan-2-yl] dihydrogen phosphite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-[(3-methylquinoxalin-2-yl)oxymethyl]furan-2-yl] dihydrogen phosphite?
The IUPAC name of [5-[(3-methylquinoxalin-2-yl)oxymethyl]furan-2-yl] dihydrogen phosphite (CID 134294190) is [5-[(3-methylquinoxalin-2-yl)oxymethyl]furan-2-yl] dihydrogen phosphite.
What is the SMILES notation for [5-[(3-methylquinoxalin-2-yl)oxymethyl]furan-2-yl] dihydrogen phosphite?
The canonical SMILES for [5-[(3-methylquinoxalin-2-yl)oxymethyl]furan-2-yl] dihydrogen phosphite is Cc1nc2ccccc2nc1OCc1ccc(OP(O)O)o1.
What is the InChIKey of [5-[(3-methylquinoxalin-2-yl)oxymethyl]furan-2-yl] dihydrogen phosphite?
The InChIKey is VAIHHWMEWFNTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N2O5P/c1-9-14(16-12-5-3-2-4-11(12)15-9)19-8-10-6-7-13(20-10)21-22(17)18/h2-7,17-18H,8H2,1H3.
What are the key properties of [5-[(3-methylquinoxalin-2-yl)oxymethyl]furan-2-yl] dihydrogen phosphite?
[5-[(3-methylquinoxalin-2-yl)oxymethyl]furan-2-yl] dihydrogen phosphite has a molecular weight of 320.24 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3-methylquinoxalin-2-yl)oxymethyl]furan-2-yl] dihydrogen phosphite is sourced from PubChem (CID 134294190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).