3-ethyl-2,4-dimethylbenzo[g]quinoxalin-4-ium

C16H17N2+ — CID 158717948

IUPAC3-ethyl-2,4-dimethylbenzo[g]quinoxalin-4-ium
SMILESCCc1c(C)nc2cc3ccccc3cc2[n+]1C
InChIInChI=1S/C16H17N2/c1-4-15-11(2)17-14-9-12-7-5-6-8-13(12)10-16(14)18(15)3/h5-10H,4H2,1-3H3/q+1
InChIKeyKQHGMOPSJYWZDT-UHFFFAOYSA-N
MW237.33 g/mol
LogP3.08
Rot. Bonds1

About 3-ethyl-2,4-dimethylbenzo[g]quinoxalin-4-ium

3-ethyl-2,4-dimethylbenzo[g]quinoxalin-4-ium (PubChem CID 158717948) has the molecular formula C16H17N2+ and a molecular weight of 237.33 g/mol. Its IUPAC name is 3-ethyl-2,4-dimethylbenzo[g]quinoxalin-4-ium.

Molecular Properties

Compound Name3-ethyl-2,4-dimethylbenzo[g]quinoxalin-4-ium
PubChem CID158717948
Molecular FormulaC16H17N2+
Molecular Weight237.33 g/mol
Exact Mass237.14
IUPAC Name3-ethyl-2,4-dimethylbenzo[g]quinoxalin-4-ium
SMILESCCc1c(C)nc2cc3ccccc3cc2[n+]1C
InChIInChI=1S/C16H17N2/c1-4-15-11(2)17-14-9-12-7-5-6-8-13(12)10-16(14)18(15)3/h5-10H,4H2,1-3H3/q+1
InChIKeyKQHGMOPSJYWZDT-UHFFFAOYSA-N
XLogP3.08
TPSA16.77 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-1,3-dimethylquinolin-1-ium-4-amine iodide
CID 44655304
2,3-dimethylpyrazino[2,3-b]phenazine
CID 101041837
methyl 2-methylbenzo[g]quinoxaline-3-carboxylate
CID 15545499
anthracene;ethanol;titanium
CID 160763576
10-(2,4-dimethylbenzo[g]quinoxalin-4-ium-3-yl)-9-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene;9-(1,4-dimethylpyridin-1-ium-2-yl)-10-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-(1,4-dimethylpyridin-1-ium-2-yl)-9-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene;9-(3,6-dimethylpyrimidin-3-ium-4-yl)-10-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-(3,6-dimethylpyrimidin-3-ium-4-yl)-9-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene;10-(1,3-dimethylquinoxalin-1-ium-2-yl)-9-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene
CID 158464373
2-(3,6-diethyl-1,4,5-trimethylpyridin-1-ium-2-yl)-1-methylbenzimidazole
CID 91484782
ethyl (6-methylphenanthridin-8-yl) carbonate
CID 131861123
N-[(4-ethylphenyl)methyl]-3-methylquinoxalin-2-amine
CID 106900035
1,2,3-trimethylquinolin-1-ium chloride
CID 134987005
3-tert-butyl-2-methylquinoline
CID 89390827
2-methylbenzo[g]quinazoline
CID 58939707
bis(1-ethyl-3,5-dimethylbenzene);naphthalene
CID 165102980

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,4-dimethylbenzo[g]quinoxalin-4-ium?
The IUPAC name of 3-ethyl-2,4-dimethylbenzo[g]quinoxalin-4-ium (CID 158717948) is 3-ethyl-2,4-dimethylbenzo[g]quinoxalin-4-ium.
What is the SMILES notation for 3-ethyl-2,4-dimethylbenzo[g]quinoxalin-4-ium?
The canonical SMILES for 3-ethyl-2,4-dimethylbenzo[g]quinoxalin-4-ium is CCc1c(C)nc2cc3ccccc3cc2[n+]1C.
What is the InChIKey of 3-ethyl-2,4-dimethylbenzo[g]quinoxalin-4-ium?
The InChIKey is KQHGMOPSJYWZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N2/c1-4-15-11(2)17-14-9-12-7-5-6-8-13(12)10-16(14)18(15)3/h5-10H,4H2,1-3H3/q+1.
What are the key properties of 3-ethyl-2,4-dimethylbenzo[g]quinoxalin-4-ium?
3-ethyl-2,4-dimethylbenzo[g]quinoxalin-4-ium has a molecular weight of 237.33 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,4-dimethylbenzo[g]quinoxalin-4-ium is sourced from PubChem (CID 158717948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).