3,4a,5-trimethyl-5H-quinoxaline

C11H14N2 — CID 163480902

IUPAC3,4a,5-trimethyl-5H-quinoxaline
SMILESCC1=NC2(C)C(=CC=CC2C)N=C1
InChIInChI=1S/C11H14N2/c1-8-5-4-6-10-11(8,3)13-9(2)7-12-10/h4-8H,1-3H3
InChIKeyCEKPWICAIUYVOZ-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.38
Rot. Bonds

About 3,4a,5-trimethyl-5H-quinoxaline

3,4a,5-trimethyl-5H-quinoxaline (PubChem CID 163480902) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 3,4a,5-trimethyl-5H-quinoxaline.

Molecular Properties

Compound Name3,4a,5-trimethyl-5H-quinoxaline
PubChem CID163480902
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name3,4a,5-trimethyl-5H-quinoxaline
SMILESCC1=NC2(C)C(=CC=CC2C)N=C1
InChIInChI=1S/C11H14N2/c1-8-5-4-6-10-11(8,3)13-9(2)7-12-10/h4-8H,1-3H3
InChIKeyCEKPWICAIUYVOZ-UHFFFAOYSA-N
XLogP2.38
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-6,7-dihydroquinoxaline
CID 68373324
2-Propan-2-yl-4a,8a-dihydroquinoxaline
CID 89171962
2,6-Dimethyl-6,7-dihydroquinoxaline
CID 89495186
3,8-Dimethyl-4a,5-dihydroquinoxaline
CID 90334667
5-Methyl-4a,5-dihydroquinoxaline
CID 117615154
1-(6,7-dihydroquinolin-2-yl)-N-methylmethanimine
CID 117860743
N-[(1Z)-1-(2,3-dihydropyridin-2-yl)buta-1,3-dienyl]-2-ethylbut-3-en-1-imine
CID 118616227
(4R)-6-cyclohexa-2,4-dien-1-yl-4-methyl-3,4-dihydropyridine
CID 121358712
3,8a-dimethyl-3H-1,5-naphthyridine
CID 123905928
6-[(Z)-but-1-enyl]-3-methyl-3,4-dihydropyridine
CID 123906787
3-Methyl-7-propan-2-yl-4a,8a-dihydroisoquinoline
CID 124131585
5,7-Dimethyl-4a,5-dihydroquinoline
CID 139566513

Frequently Asked Questions

What is the IUPAC name of 3,4a,5-trimethyl-5H-quinoxaline?
The IUPAC name of 3,4a,5-trimethyl-5H-quinoxaline (CID 163480902) is 3,4a,5-trimethyl-5H-quinoxaline.
What is the SMILES notation for 3,4a,5-trimethyl-5H-quinoxaline?
The canonical SMILES for 3,4a,5-trimethyl-5H-quinoxaline is CC1=NC2(C)C(=CC=CC2C)N=C1.
What is the InChIKey of 3,4a,5-trimethyl-5H-quinoxaline?
The InChIKey is CEKPWICAIUYVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-8-5-4-6-10-11(8,3)13-9(2)7-12-10/h4-8H,1-3H3.
What are the key properties of 3,4a,5-trimethyl-5H-quinoxaline?
3,4a,5-trimethyl-5H-quinoxaline has a molecular weight of 174.25 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4a,5-trimethyl-5H-quinoxaline is sourced from PubChem (CID 163480902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).