5-iodo-2,3-dimethoxy-6,7-dimethylquinoxaline

C12H13IN2O2 — CID 18726761

IUPAC5-iodo-2,3-dimethoxy-6,7-dimethylquinoxaline
SMILESCOc1nc2cc(C)c(C)c(I)c2nc1OC
InChIInChI=1S/C12H13IN2O2/c1-6-5-8-10(9(13)7(6)2)15-12(17-4)11(14-8)16-3/h5H,1-4H3
InChIKeyGDTXFTSRQOAFJS-UHFFFAOYSA-N
MW344.15 g/mol
LogP2.87
Rot. Bonds2

About 5-iodo-2,3-dimethoxy-6,7-dimethylquinoxaline

5-iodo-2,3-dimethoxy-6,7-dimethylquinoxaline (PubChem CID 18726761) has the molecular formula C12H13IN2O2 and a molecular weight of 344.15 g/mol. Its IUPAC name is 5-iodo-2,3-dimethoxy-6,7-dimethylquinoxaline.

Molecular Properties

Compound Name5-iodo-2,3-dimethoxy-6,7-dimethylquinoxaline
PubChem CID18726761
Molecular FormulaC12H13IN2O2
Molecular Weight344.15 g/mol
Exact Mass344.00
IUPAC Name5-iodo-2,3-dimethoxy-6,7-dimethylquinoxaline
SMILESCOc1nc2cc(C)c(C)c(I)c2nc1OC
InChIInChI=1S/C12H13IN2O2/c1-6-5-8-10(9(13)7(6)2)15-12(17-4)11(14-8)16-3/h5H,1-4H3
InChIKeyGDTXFTSRQOAFJS-UHFFFAOYSA-N
XLogP2.87
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.15
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-2,3-dimethoxy-6,7-dimethylquinoxaline?
The IUPAC name of 5-iodo-2,3-dimethoxy-6,7-dimethylquinoxaline (CID 18726761) is 5-iodo-2,3-dimethoxy-6,7-dimethylquinoxaline.
What is the SMILES notation for 5-iodo-2,3-dimethoxy-6,7-dimethylquinoxaline?
The canonical SMILES for 5-iodo-2,3-dimethoxy-6,7-dimethylquinoxaline is COc1nc2cc(C)c(C)c(I)c2nc1OC.
What is the InChIKey of 5-iodo-2,3-dimethoxy-6,7-dimethylquinoxaline?
The InChIKey is GDTXFTSRQOAFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13IN2O2/c1-6-5-8-10(9(13)7(6)2)15-12(17-4)11(14-8)16-3/h5H,1-4H3.
What are the key properties of 5-iodo-2,3-dimethoxy-6,7-dimethylquinoxaline?
5-iodo-2,3-dimethoxy-6,7-dimethylquinoxaline has a molecular weight of 344.15 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2,3-dimethoxy-6,7-dimethylquinoxaline is sourced from PubChem (CID 18726761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).