6-tert-butyl-2-(2-iodopropan-2-yl)quinoxaline

C15H19IN2 — CID 134414962

IUPAC6-tert-butyl-2-(2-iodopropan-2-yl)quinoxaline
SMILESCC(C)(C)c1ccc2nc(C(C)(C)I)cnc2c1
InChIInChI=1S/C15H19IN2/c1-14(2,3)10-6-7-11-12(8-10)17-9-13(18-11)15(4,5)16/h6-9H,1-5H3
InChIKeyJEDFMRMIURTYAB-UHFFFAOYSA-N
MW354.24 g/mol
LogP4.60
Rot. Bonds1

About 6-tert-butyl-2-(2-iodopropan-2-yl)quinoxaline

6-tert-butyl-2-(2-iodopropan-2-yl)quinoxaline (PubChem CID 134414962) has the molecular formula C15H19IN2 and a molecular weight of 354.24 g/mol. Its IUPAC name is 6-tert-butyl-2-(2-iodopropan-2-yl)quinoxaline.

Molecular Properties

Compound Name6-tert-butyl-2-(2-iodopropan-2-yl)quinoxaline
PubChem CID134414962
Molecular FormulaC15H19IN2
Molecular Weight354.24 g/mol
Exact Mass354.06
IUPAC Name6-tert-butyl-2-(2-iodopropan-2-yl)quinoxaline
SMILESCC(C)(C)c1ccc2nc(C(C)(C)I)cnc2c1
InChIInChI=1S/C15H19IN2/c1-14(2,3)10-6-7-11-12(8-10)17-9-13(18-11)15(4,5)16/h6-9H,1-5H3
InChIKeyJEDFMRMIURTYAB-UHFFFAOYSA-N
XLogP4.60
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.24
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-(2-iodopropan-2-yl)quinoxaline?
The IUPAC name of 6-tert-butyl-2-(2-iodopropan-2-yl)quinoxaline (CID 134414962) is 6-tert-butyl-2-(2-iodopropan-2-yl)quinoxaline.
What is the SMILES notation for 6-tert-butyl-2-(2-iodopropan-2-yl)quinoxaline?
The canonical SMILES for 6-tert-butyl-2-(2-iodopropan-2-yl)quinoxaline is CC(C)(C)c1ccc2nc(C(C)(C)I)cnc2c1.
What is the InChIKey of 6-tert-butyl-2-(2-iodopropan-2-yl)quinoxaline?
The InChIKey is JEDFMRMIURTYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19IN2/c1-14(2,3)10-6-7-11-12(8-10)17-9-13(18-11)15(4,5)16/h6-9H,1-5H3.
What are the key properties of 6-tert-butyl-2-(2-iodopropan-2-yl)quinoxaline?
6-tert-butyl-2-(2-iodopropan-2-yl)quinoxaline has a molecular weight of 354.24 g/mol, XLogP of 4.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-(2-iodopropan-2-yl)quinoxaline is sourced from PubChem (CID 134414962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).