3,10-dimethyl-2-(1-methylpyridin-1-ium-2-yl)phenoxazine

C20H19N2O+ — CID 140839426

IUPAC3,10-dimethyl-2-(1-methylpyridin-1-ium-2-yl)phenoxazine
SMILESCc1cc2c(cc1-c1cccc[n+]1C)N(C)c1ccccc1O2
InChIInChI=1S/C20H19N2O/c1-14-12-20-18(13-15(14)16-8-6-7-11-21(16)2)22(3)17-9-4-5-10-19(17)23-20/h4-13H,1-3H3/q+1
InChIKeyWHNQYJMEXWSXLR-UHFFFAOYSA-N
MW303.39 g/mol
LogP4.36
Rot. Bonds1

About 3,10-dimethyl-2-(1-methylpyridin-1-ium-2-yl)phenoxazine

3,10-dimethyl-2-(1-methylpyridin-1-ium-2-yl)phenoxazine (PubChem CID 140839426) has the molecular formula C20H19N2O+ and a molecular weight of 303.39 g/mol. Its IUPAC name is 3,10-dimethyl-2-(1-methylpyridin-1-ium-2-yl)phenoxazine.

Molecular Properties

Compound Name3,10-dimethyl-2-(1-methylpyridin-1-ium-2-yl)phenoxazine
PubChem CID140839426
Molecular FormulaC20H19N2O+
Molecular Weight303.39 g/mol
Exact Mass303.15
IUPAC Name3,10-dimethyl-2-(1-methylpyridin-1-ium-2-yl)phenoxazine
SMILESCc1cc2c(cc1-c1cccc[n+]1C)N(C)c1ccccc1O2
InChIInChI=1S/C20H19N2O/c1-14-12-20-18(13-15(14)16-8-6-7-11-21(16)2)22(3)17-9-4-5-10-19(17)23-20/h4-13H,1-3H3/q+1
InChIKeyWHNQYJMEXWSXLR-UHFFFAOYSA-N
XLogP4.36
TPSA16.35 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,9,9,10-tetramethyl-3-(1-methylpyridin-1-ium-2-yl)acridine
CID 140839461
2,5,10,10-tetramethyl-3-(1-methylpyridin-1-ium-2-yl)benzo[b][1,4]benzazasiline
CID 140839568
2,5,10-trimethyl-3-(1-methylpyrazin-1-ium-2-yl)phenazine
CID 140839543
1-methyl-2-(3-methyldibenzo-p-dioxin-2-yl)pyrazin-1-ium
CID 140839431
1-methyl-2-[3-methyl-10-[2-(2-methylphenoxy)phenyl]benzo[b][1,4]benzoxaborinin-2-yl]pyridin-1-ium
CID 168787603
12-methyl-9-(10-methylphenoxazin-2-yl)benzo[b]phenoxazine
CID 155421136
1-methyl-2-(1,5,8,9,9,10,10,11,11-nonamethyl-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)pyridin-1-ium
CID 140720316
1-methyl-2-(1,3,6-trimethyl-2,3-dihydro-1H-inden-5-yl)pyridin-1-ium
CID 177074990
2-[4-(deuteriomethyl)-2-methyl-5-phenylphenyl]-1-methylpyridin-1-ium
CID 172534733
1-(2-methylphenyl)-7-(1-methylpyridin-1-ium-2-yl)indole
CID 176737848
1-methyl-2-(2-methyl-[1]benzofuro[2,3-b][1]benzofuran-3-yl)pyridin-1-ium
CID 140827979
1-methyl-2-(3,3,6-trimethyl-1,2-dihydroinden-5-yl)pyridin-1-ium
CID 170685494

Frequently Asked Questions

What is the IUPAC name of 3,10-dimethyl-2-(1-methylpyridin-1-ium-2-yl)phenoxazine?
The IUPAC name of 3,10-dimethyl-2-(1-methylpyridin-1-ium-2-yl)phenoxazine (CID 140839426) is 3,10-dimethyl-2-(1-methylpyridin-1-ium-2-yl)phenoxazine.
What is the SMILES notation for 3,10-dimethyl-2-(1-methylpyridin-1-ium-2-yl)phenoxazine?
The canonical SMILES for 3,10-dimethyl-2-(1-methylpyridin-1-ium-2-yl)phenoxazine is Cc1cc2c(cc1-c1cccc[n+]1C)N(C)c1ccccc1O2.
What is the InChIKey of 3,10-dimethyl-2-(1-methylpyridin-1-ium-2-yl)phenoxazine?
The InChIKey is WHNQYJMEXWSXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N2O/c1-14-12-20-18(13-15(14)16-8-6-7-11-21(16)2)22(3)17-9-4-5-10-19(17)23-20/h4-13H,1-3H3/q+1.
What are the key properties of 3,10-dimethyl-2-(1-methylpyridin-1-ium-2-yl)phenoxazine?
3,10-dimethyl-2-(1-methylpyridin-1-ium-2-yl)phenoxazine has a molecular weight of 303.39 g/mol, XLogP of 4.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,10-dimethyl-2-(1-methylpyridin-1-ium-2-yl)phenoxazine is sourced from PubChem (CID 140839426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).