2,3-dibutylquinoxaline

C16H22N2 — CID 14641798

IUPAC2,3-dibutylquinoxaline
SMILESCCCCc1nc2ccccc2nc1CCCC
InChIInChI=1S/C16H22N2/c1-3-5-9-13-14(10-6-4-2)18-16-12-8-7-11-15(16)17-13/h7-8,11-12H,3-6,9-10H2,1-2H3
InChIKeyBXSMRDQWKHIDKN-UHFFFAOYSA-N
MW242.37 g/mol
LogP4.32
Rot. Bonds6

About 2,3-dibutylquinoxaline

2,3-dibutylquinoxaline (PubChem CID 14641798) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 2,3-dibutylquinoxaline.

Molecular Properties

Compound Name2,3-dibutylquinoxaline
PubChem CID14641798
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name2,3-dibutylquinoxaline
SMILESCCCCc1nc2ccccc2nc1CCCC
InChIInChI=1S/C16H22N2/c1-3-5-9-13-14(10-6-4-2)18-16-12-8-7-11-15(16)17-13/h7-8,11-12H,3-6,9-10H2,1-2H3
InChIKeyBXSMRDQWKHIDKN-UHFFFAOYSA-N
XLogP4.32
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dibutylquinoxaline?
The IUPAC name of 2,3-dibutylquinoxaline (CID 14641798) is 2,3-dibutylquinoxaline.
What is the SMILES notation for 2,3-dibutylquinoxaline?
The canonical SMILES for 2,3-dibutylquinoxaline is CCCCc1nc2ccccc2nc1CCCC.
What is the InChIKey of 2,3-dibutylquinoxaline?
The InChIKey is BXSMRDQWKHIDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-3-5-9-13-14(10-6-4-2)18-16-12-8-7-11-15(16)17-13/h7-8,11-12H,3-6,9-10H2,1-2H3.
What are the key properties of 2,3-dibutylquinoxaline?
2,3-dibutylquinoxaline has a molecular weight of 242.37 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibutylquinoxaline is sourced from PubChem (CID 14641798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).