2-ethoxy-6-methoxy-3-methyl-4-oxidoquinoxalin-1-ium 1-oxide

C12H14N2O4 — CID 101099213

IUPAC2-ethoxy-6-methoxy-3-methyl-4-oxidoquinoxalin-1-ium 1-oxide
SMILESCCOc1c(C)n([O-])c2cc(OC)ccc2[n+]1=O
InChIInChI=1S/C12H14N2O4/c1-4-18-12-8(2)13(15)11-7-9(17-3)5-6-10(11)14(12)16/h5-7H,4H2,1-3H3
InChIKeyARNJCBGDUVQHQK-UHFFFAOYSA-N
MW250.25 g/mol
LogP1.62
Rot. Bonds3

About 2-ethoxy-6-methoxy-3-methyl-4-oxidoquinoxalin-1-ium 1-oxide

2-ethoxy-6-methoxy-3-methyl-4-oxidoquinoxalin-1-ium 1-oxide (PubChem CID 101099213) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 2-ethoxy-6-methoxy-3-methyl-4-oxidoquinoxalin-1-ium 1-oxide.

Molecular Properties

Compound Name2-ethoxy-6-methoxy-3-methyl-4-oxidoquinoxalin-1-ium 1-oxide
PubChem CID101099213
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name2-ethoxy-6-methoxy-3-methyl-4-oxidoquinoxalin-1-ium 1-oxide
SMILESCCOc1c(C)n([O-])c2cc(OC)ccc2[n+]1=O
InChIInChI=1S/C12H14N2O4/c1-4-18-12-8(2)13(15)11-7-9(17-3)5-6-10(11)14(12)16/h5-7H,4H2,1-3H3
InChIKeyARNJCBGDUVQHQK-UHFFFAOYSA-N
XLogP1.62
TPSA69.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-4-oxido-2,3-dihydro-1H-cyclopenta[b]quinoxalin-9-ium 9-oxide
CID 659648
7-ethoxy-3-methyl-4-oxido-2-phenylsulfanylquinoxalin-1-ium 1-oxide
CID 11056545
N-benzyl-7-methoxy-1-oxido-4-oxo-3-phenylquinoxalin-4-ium-2-carboxamide
CID 46944332
3-ethyl-5-methoxy-1,2-dimethylbenzimidazol-1-ium
CID 153134341
ethyl 2-(7-methoxy-2-oxoquinoxalin-1-yl)acetate
CID 70648213
3-ethyl-6-methoxyindole-1-carboxamide
CID 173231943
3-(4-methoxyphenyl)-6,7-dimethyl-4-oxido-1-oxoquinoxalin-1-ium-2-carbonitrile
CID 25111135
2-amino-1-ethyl-6-methoxyindole-3-carbonitrile
CID 90970598
ethyl 5-methoxy-2-methyl-1-methylsulfonylindole-3-carboxylate
CID 23589053
6-methoxy-1,2-dimethylindole-3-carboxamide
CID 71165672
3-(2,5-dimethoxyphenyl)-2-methyl-1-oxido-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyrazin-4-ium 4-oxide
CID 9102037
ethyl 2-bromo-5-methoxybenzoate
CID 43389585

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-methoxy-3-methyl-4-oxidoquinoxalin-1-ium 1-oxide?
The IUPAC name of 2-ethoxy-6-methoxy-3-methyl-4-oxidoquinoxalin-1-ium 1-oxide (CID 101099213) is 2-ethoxy-6-methoxy-3-methyl-4-oxidoquinoxalin-1-ium 1-oxide.
What is the SMILES notation for 2-ethoxy-6-methoxy-3-methyl-4-oxidoquinoxalin-1-ium 1-oxide?
The canonical SMILES for 2-ethoxy-6-methoxy-3-methyl-4-oxidoquinoxalin-1-ium 1-oxide is CCOc1c(C)n([O-])c2cc(OC)ccc2[n+]1=O.
What is the InChIKey of 2-ethoxy-6-methoxy-3-methyl-4-oxidoquinoxalin-1-ium 1-oxide?
The InChIKey is ARNJCBGDUVQHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-4-18-12-8(2)13(15)11-7-9(17-3)5-6-10(11)14(12)16/h5-7H,4H2,1-3H3.
What are the key properties of 2-ethoxy-6-methoxy-3-methyl-4-oxidoquinoxalin-1-ium 1-oxide?
2-ethoxy-6-methoxy-3-methyl-4-oxidoquinoxalin-1-ium 1-oxide has a molecular weight of 250.25 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-methoxy-3-methyl-4-oxidoquinoxalin-1-ium 1-oxide is sourced from PubChem (CID 101099213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).