1-methyl-2-(2-methylphenyl)-7-(2-methylpropyl)quinoxalin-1-ium

C20H23N2+ — CID 123934161

IUPAC1-methyl-2-(2-methylphenyl)-7-(2-methylpropyl)quinoxalin-1-ium
SMILESCc1ccccc1-c1cnc2ccc(CC(C)C)cc2[n+]1C
InChIInChI=1S/C20H23N2/c1-14(2)11-16-9-10-18-19(12-16)22(4)20(13-21-18)17-8-6-5-7-15(17)3/h5-10,12-14H,11H2,1-4H3/q+1
InChIKeyWAYIZZQHUGRAIO-UHFFFAOYSA-N
MW291.42 g/mol
LogP4.23
Rot. Bonds3

About 1-methyl-2-(2-methylphenyl)-7-(2-methylpropyl)quinoxalin-1-ium

1-methyl-2-(2-methylphenyl)-7-(2-methylpropyl)quinoxalin-1-ium (PubChem CID 123934161) has the molecular formula C20H23N2+ and a molecular weight of 291.42 g/mol. Its IUPAC name is 1-methyl-2-(2-methylphenyl)-7-(2-methylpropyl)quinoxalin-1-ium.

Molecular Properties

Compound Name1-methyl-2-(2-methylphenyl)-7-(2-methylpropyl)quinoxalin-1-ium
PubChem CID123934161
Molecular FormulaC20H23N2+
Molecular Weight291.42 g/mol
Exact Mass291.19
IUPAC Name1-methyl-2-(2-methylphenyl)-7-(2-methylpropyl)quinoxalin-1-ium
SMILESCc1ccccc1-c1cnc2ccc(CC(C)C)cc2[n+]1C
InChIInChI=1S/C20H23N2/c1-14(2)11-16-9-10-18-19(12-16)22(4)20(13-21-18)17-8-6-5-7-15(17)3/h5-10,12-14H,11H2,1-4H3/q+1
InChIKeyWAYIZZQHUGRAIO-UHFFFAOYSA-N
XLogP4.23
TPSA16.77 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-2-(2-methylphenyl)-7-(2-methylpropyl)-1,5-naphthyridin-1-ium;1-methyl-2-(2-methylphenyl)-7-(2-methylpropyl)quinoxalin-1-ium;1-methyl-2-(2-methylphenyl)-7-propan-2-yl-1,5-naphthyridin-1-ium
CID 159192482
1-methyl-2-(2-methylphenyl)-4,7-bis(2-methylpropyl)quinolin-1-ium
CID 170404969
2-(2-methylphenyl)-5-(2-methylpropyl)pyridine
CID 129095802
1-methyl-2-[2-methyl-5-(2-methylpropyl)phenyl]-4-(2-methylpropyl)pyridin-1-ium
CID 158625991
1-methyl-2-(2-methylphenyl)-8-(2-methylpropyl)-9H-indeno[1,2-b]pyrazin-1-ium
CID 158322918
1-methyl-7-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)pyrido[2,3-b]pyrazin-1-ium
CID 123976540
1,3-dimethyl-6-(2-methylphenyl)-2-(2-methylpropyl)pyridin-1-ium
CID 164777978
6-methyl-7-(2-methylphenyl)-4-(2-methylpropyl)-1,6-naphthyridin-6-ium
CID 123543287
trimethyl-[1-methyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyridin-1-ium-4-yl]silane
CID 157442242
1,2,3-trimethyl-6-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium
CID 123682313
7,9,9-trimethyl-8-[1-methyl-7-(2-methylpropyl)quinolin-1-ium-2-yl]indeno[2,1-b]pyridine
CID 123868813
1-methyl-2-(2-methylphenyl)-4-[6-(2-methylpropyl)-2-pyridinyl]pyridin-1-ium
CID 123166684

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2-methylphenyl)-7-(2-methylpropyl)quinoxalin-1-ium?
The IUPAC name of 1-methyl-2-(2-methylphenyl)-7-(2-methylpropyl)quinoxalin-1-ium (CID 123934161) is 1-methyl-2-(2-methylphenyl)-7-(2-methylpropyl)quinoxalin-1-ium.
What is the SMILES notation for 1-methyl-2-(2-methylphenyl)-7-(2-methylpropyl)quinoxalin-1-ium?
The canonical SMILES for 1-methyl-2-(2-methylphenyl)-7-(2-methylpropyl)quinoxalin-1-ium is Cc1ccccc1-c1cnc2ccc(CC(C)C)cc2[n+]1C.
What is the InChIKey of 1-methyl-2-(2-methylphenyl)-7-(2-methylpropyl)quinoxalin-1-ium?
The InChIKey is WAYIZZQHUGRAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N2/c1-14(2)11-16-9-10-18-19(12-16)22(4)20(13-21-18)17-8-6-5-7-15(17)3/h5-10,12-14H,11H2,1-4H3/q+1.
What are the key properties of 1-methyl-2-(2-methylphenyl)-7-(2-methylpropyl)quinoxalin-1-ium?
1-methyl-2-(2-methylphenyl)-7-(2-methylpropyl)quinoxalin-1-ium has a molecular weight of 291.42 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2-methylphenyl)-7-(2-methylpropyl)quinoxalin-1-ium is sourced from PubChem (CID 123934161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).