6,7-dimethyl-2-(1-oxidopyridin-1-ium-2-yl)-3-pyridin-2-ylquinoxaline

C20H16N4O — CID 11843201

IUPAC6,7-dimethyl-2-(1-oxidopyridin-1-ium-2-yl)-3-pyridin-2-ylquinoxaline
SMILESCc1cc2nc(-c3ccccn3)c(-c3cccc[n+]3[O-])nc2cc1C
InChIInChI=1S/C20H16N4O/c1-13-11-16-17(12-14(13)2)23-20(18-8-4-6-10-24(18)25)19(22-16)15-7-3-5-9-21-15/h3-12H,1-2H3
InChIKeyMQHSVBBXQBRSOY-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.61
Rot. Bonds2

About 6,7-dimethyl-2-(1-oxidopyridin-1-ium-2-yl)-3-pyridin-2-ylquinoxaline

6,7-dimethyl-2-(1-oxidopyridin-1-ium-2-yl)-3-pyridin-2-ylquinoxaline (PubChem CID 11843201) has the molecular formula C20H16N4O and a molecular weight of 328.38 g/mol. Its IUPAC name is 6,7-dimethyl-2-(1-oxidopyridin-1-ium-2-yl)-3-pyridin-2-ylquinoxaline.

Molecular Properties

Compound Name6,7-dimethyl-2-(1-oxidopyridin-1-ium-2-yl)-3-pyridin-2-ylquinoxaline
PubChem CID11843201
Molecular FormulaC20H16N4O
Molecular Weight328.38 g/mol
Exact Mass328.13
IUPAC Name6,7-dimethyl-2-(1-oxidopyridin-1-ium-2-yl)-3-pyridin-2-ylquinoxaline
SMILESCc1cc2nc(-c3ccccn3)c(-c3cccc[n+]3[O-])nc2cc1C
InChIInChI=1S/C20H16N4O/c1-13-11-16-17(12-14(13)2)23-20(18-8-4-6-10-24(18)25)19(22-16)15-7-3-5-9-21-15/h3-12H,1-2H3
InChIKeyMQHSVBBXQBRSOY-UHFFFAOYSA-N
XLogP3.61
TPSA65.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6,7-dimethyl-2-(1-oxidopyridin-1-ium-2-yl)-3-pyridin-2-ylquinoxaline with MolForge

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Launch Full Analysis

Related Compounds

chloroform;1-oxido-2-(1-oxidopyridin-1-ium-2-yl)pyridin-1-ium;2-pyridin-2-ylpyridine
CID 162039201
5,8-dimethyl-2,3-dipyridin-2-ylquinoxaline
CID 21026689
2,3-dipyridin-2-ylquinoxaline;platinum(2+);bis(2-pyridin-2-ylpyridine);ruthenium(2+)
CID 50910408
1-methyl-2-(3-methyl-5-pyridin-2-ylphenyl)pyridin-1-ium
CID 145489374
6,7-dimethyl-2,3-bis(6-methyl-2-pyridinyl)quinoxaline
CID 15427002
2-[8-(dicyanomethylidene)-2-(1-methylpyridin-1-ium-2-yl)-3-pyridin-2-ylquinoxalin-5-ylidene]propanedinitrile
CID 10099612
13,14,30,31-tetrapyridin-2-yl-2,5,8,19,22,25-hexaoxa-12,15,29,32-tetrazapentacyclo[24.8.0.09,18.011,16.028,33]tetratriaconta-1(26),9(18),10,12,14,16,27,29,31,33-decaene
CID 102343611
(2,3-dipyridin-2-ylquinoxalin-6-yl)-phenylmethanone
CID 54672430
4-ethenyl-7-fluoro-3-methyl-2-pyridin-2-ylquinoline
CID 59631216
2-(2,5-dimethyl-4-pyridin-2-ylphenyl)pyridine
CID 118652406
3-(3,4-dimethylphenyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine
CID 80522035
N-methyl-1-(3-pyridin-2-ylbenzo[g]quinoxalin-2-yl)methanimine
CID 142894258

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-2-(1-oxidopyridin-1-ium-2-yl)-3-pyridin-2-ylquinoxaline?
The IUPAC name of 6,7-dimethyl-2-(1-oxidopyridin-1-ium-2-yl)-3-pyridin-2-ylquinoxaline (CID 11843201) is 6,7-dimethyl-2-(1-oxidopyridin-1-ium-2-yl)-3-pyridin-2-ylquinoxaline.
What is the SMILES notation for 6,7-dimethyl-2-(1-oxidopyridin-1-ium-2-yl)-3-pyridin-2-ylquinoxaline?
The canonical SMILES for 6,7-dimethyl-2-(1-oxidopyridin-1-ium-2-yl)-3-pyridin-2-ylquinoxaline is Cc1cc2nc(-c3ccccn3)c(-c3cccc[n+]3[O-])nc2cc1C.
What is the InChIKey of 6,7-dimethyl-2-(1-oxidopyridin-1-ium-2-yl)-3-pyridin-2-ylquinoxaline?
The InChIKey is MQHSVBBXQBRSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O/c1-13-11-16-17(12-14(13)2)23-20(18-8-4-6-10-24(18)25)19(22-16)15-7-3-5-9-21-15/h3-12H,1-2H3.
What are the key properties of 6,7-dimethyl-2-(1-oxidopyridin-1-ium-2-yl)-3-pyridin-2-ylquinoxaline?
6,7-dimethyl-2-(1-oxidopyridin-1-ium-2-yl)-3-pyridin-2-ylquinoxaline has a molecular weight of 328.38 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-2-(1-oxidopyridin-1-ium-2-yl)-3-pyridin-2-ylquinoxaline is sourced from PubChem (CID 11843201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).