2-methyl-3-propylquinoxaline

C12H14N2 — CID 2826633

IUPAC2-methyl-3-propylquinoxaline
SMILESCCCc1nc2ccccc2nc1C
InChIInChI=1S/C12H14N2/c1-3-6-10-9(2)13-11-7-4-5-8-12(11)14-10/h4-5,7-8H,3,6H2,1-2H3
InChIKeyLJSMYNRELBSLKT-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.89
Rot. Bonds2

About 2-methyl-3-propylquinoxaline

2-methyl-3-propylquinoxaline (PubChem CID 2826633) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 2-methyl-3-propylquinoxaline.

Molecular Properties

Compound Name2-methyl-3-propylquinoxaline
PubChem CID2826633
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name2-methyl-3-propylquinoxaline
SMILESCCCc1nc2ccccc2nc1C
InChIInChI=1S/C12H14N2/c1-3-6-10-9(2)13-11-7-4-5-8-12(11)14-10/h4-5,7-8H,3,6H2,1-2H3
InChIKeyLJSMYNRELBSLKT-UHFFFAOYSA-N
XLogP2.89
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-propylquinoxaline?
The IUPAC name of 2-methyl-3-propylquinoxaline (CID 2826633) is 2-methyl-3-propylquinoxaline.
What is the SMILES notation for 2-methyl-3-propylquinoxaline?
The canonical SMILES for 2-methyl-3-propylquinoxaline is CCCc1nc2ccccc2nc1C.
What is the InChIKey of 2-methyl-3-propylquinoxaline?
The InChIKey is LJSMYNRELBSLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-3-6-10-9(2)13-11-7-4-5-8-12(11)14-10/h4-5,7-8H,3,6H2,1-2H3.
What are the key properties of 2-methyl-3-propylquinoxaline?
2-methyl-3-propylquinoxaline has a molecular weight of 186.26 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-propylquinoxaline is sourced from PubChem (CID 2826633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).