2,3,8a-trimethyl-1H-quinoxaline

C11H14N2 — CID 89420017

IUPAC2,3,8a-trimethyl-1H-quinoxaline
SMILESCC1=C(C)NC2(C)C=CC=CC2=N1
InChIInChI=1S/C11H14N2/c1-8-9(2)13-11(3)7-5-4-6-10(11)12-8/h4-7,13H,1-3H3
InChIKeyQUWZNAPTLOMBFV-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.17
Rot. Bonds

About 2,3,8a-trimethyl-1H-quinoxaline

2,3,8a-trimethyl-1H-quinoxaline (PubChem CID 89420017) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 2,3,8a-trimethyl-1H-quinoxaline.

Molecular Properties

Compound Name2,3,8a-trimethyl-1H-quinoxaline
PubChem CID89420017
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name2,3,8a-trimethyl-1H-quinoxaline
SMILESCC1=C(C)NC2(C)C=CC=CC2=N1
InChIInChI=1S/C11H14N2/c1-8-9(2)13-11(3)7-5-4-6-10(11)12-8/h4-7,13H,1-3H3
InChIKeyQUWZNAPTLOMBFV-UHFFFAOYSA-N
XLogP2.17
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,8a-trimethyl-1H-quinoxaline?
The IUPAC name of 2,3,8a-trimethyl-1H-quinoxaline (CID 89420017) is 2,3,8a-trimethyl-1H-quinoxaline.
What is the SMILES notation for 2,3,8a-trimethyl-1H-quinoxaline?
The canonical SMILES for 2,3,8a-trimethyl-1H-quinoxaline is CC1=C(C)NC2(C)C=CC=CC2=N1.
What is the InChIKey of 2,3,8a-trimethyl-1H-quinoxaline?
The InChIKey is QUWZNAPTLOMBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-8-9(2)13-11(3)7-5-4-6-10(11)12-8/h4-7,13H,1-3H3.
What are the key properties of 2,3,8a-trimethyl-1H-quinoxaline?
2,3,8a-trimethyl-1H-quinoxaline has a molecular weight of 174.25 g/mol, XLogP of 2.17, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,8a-trimethyl-1H-quinoxaline is sourced from PubChem (CID 89420017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).