2-(2,3-dimethylphenyl)-1,3-dimethylquinoxalin-1-ium

C18H19N2+ — CID 158923676

IUPAC2-(2,3-dimethylphenyl)-1,3-dimethylquinoxalin-1-ium
SMILESCc1cccc(-c2c(C)nc3ccccc3[n+]2C)c1C
InChIInChI=1S/C18H19N2/c1-12-8-7-9-15(13(12)2)18-14(3)19-16-10-5-6-11-17(16)20(18)4/h5-11H,1-4H3/q+1
InChIKeyKMJNRMWXAQNLTM-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.65
Rot. Bonds1

About 2-(2,3-dimethylphenyl)-1,3-dimethylquinoxalin-1-ium

2-(2,3-dimethylphenyl)-1,3-dimethylquinoxalin-1-ium (PubChem CID 158923676) has the molecular formula C18H19N2+ and a molecular weight of 263.36 g/mol. Its IUPAC name is 2-(2,3-dimethylphenyl)-1,3-dimethylquinoxalin-1-ium.

Molecular Properties

Compound Name2-(2,3-dimethylphenyl)-1,3-dimethylquinoxalin-1-ium
PubChem CID158923676
Molecular FormulaC18H19N2+
Molecular Weight263.36 g/mol
Exact Mass263.15
IUPAC Name2-(2,3-dimethylphenyl)-1,3-dimethylquinoxalin-1-ium
SMILESCc1cccc(-c2c(C)nc3ccccc3[n+]2C)c1C
InChIInChI=1S/C18H19N2/c1-12-8-7-9-15(13(12)2)18-14(3)19-16-10-5-6-11-17(16)20(18)4/h5-11H,1-4H3/q+1
InChIKeyKMJNRMWXAQNLTM-UHFFFAOYSA-N
XLogP3.65
TPSA16.77 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

4-(2,3-dimethylphenyl)-3-methylquinazolin-3-ium
CID 170102494
2,4,6-tris(2,3-dimethylphenyl)-1,3,5-triazine
CID 22475994
5-methyl-6-(2-methylphenyl)phenanthridin-5-ium
CID 169322524
2-(2,3-dimethylphenyl)-6-(2-methylphenyl)pyridine
CID 123263739
3-methyl-2-(2-methylphenyl)quinazolin-3-ium
CID 123266247
4,6-bis(2,3-dimethylphenyl)-1,3,5-triazin-2-amine
CID 155659770
1,1'-biphenyl;1,2-dimethyl-3-phenylbenzene
CID 173440409
1,2-dimethyl-3-phenylbenzene;ethane
CID 90738674
2-(2,3-dimethylphenyl)imidazol-4-one
CID 141282403
1-(3-fluorophenyl)-2,3-dimethylbenzene
CID 54184747
1,2-dimethyl-3-(2-phenylphenyl)benzene
CID 54215466
3-methyl-4-(2-methylphenyl)pyrido[3,2-d]pyrimidin-3-ium
CID 123952026

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenyl)-1,3-dimethylquinoxalin-1-ium?
The IUPAC name of 2-(2,3-dimethylphenyl)-1,3-dimethylquinoxalin-1-ium (CID 158923676) is 2-(2,3-dimethylphenyl)-1,3-dimethylquinoxalin-1-ium.
What is the SMILES notation for 2-(2,3-dimethylphenyl)-1,3-dimethylquinoxalin-1-ium?
The canonical SMILES for 2-(2,3-dimethylphenyl)-1,3-dimethylquinoxalin-1-ium is Cc1cccc(-c2c(C)nc3ccccc3[n+]2C)c1C.
What is the InChIKey of 2-(2,3-dimethylphenyl)-1,3-dimethylquinoxalin-1-ium?
The InChIKey is KMJNRMWXAQNLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N2/c1-12-8-7-9-15(13(12)2)18-14(3)19-16-10-5-6-11-17(16)20(18)4/h5-11H,1-4H3/q+1.
What are the key properties of 2-(2,3-dimethylphenyl)-1,3-dimethylquinoxalin-1-ium?
2-(2,3-dimethylphenyl)-1,3-dimethylquinoxalin-1-ium has a molecular weight of 263.36 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenyl)-1,3-dimethylquinoxalin-1-ium is sourced from PubChem (CID 158923676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).