5-ethoxy-1-methylquinoxalin-1-ium

C11H13N2O+ — CID 134914209

IUPAC5-ethoxy-1-methylquinoxalin-1-ium
SMILESCCOc1cccc2c1ncc[n+]2C
InChIInChI=1S/C11H13N2O/c1-3-14-10-6-4-5-9-11(10)12-7-8-13(9)2/h4-8H,3H2,1-2H3/q+1
InChIKeyPNJSZFFTGQZJOQ-UHFFFAOYSA-N
MW189.24 g/mol
LogP1.46
Rot. Bonds2

About 5-ethoxy-1-methylquinoxalin-1-ium

5-ethoxy-1-methylquinoxalin-1-ium (PubChem CID 134914209) has the molecular formula C11H13N2O+ and a molecular weight of 189.24 g/mol. Its IUPAC name is 5-ethoxy-1-methylquinoxalin-1-ium.

Molecular Properties

Compound Name5-ethoxy-1-methylquinoxalin-1-ium
PubChem CID134914209
Molecular FormulaC11H13N2O+
Molecular Weight189.24 g/mol
Exact Mass189.10
IUPAC Name5-ethoxy-1-methylquinoxalin-1-ium
SMILESCCOc1cccc2c1ncc[n+]2C
InChIInChI=1S/C11H13N2O/c1-3-14-10-6-4-5-9-11(10)12-7-8-13(9)2/h4-8H,3H2,1-2H3/q+1
InChIKeyPNJSZFFTGQZJOQ-UHFFFAOYSA-N
XLogP1.46
TPSA26.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

1,9-diethoxyphenazine
CID 71668489
O-(2-ethoxyphenyl)hydroxylamine
CID 70279336
ethane;4-ethoxy-1,3-benzoxazole
CID 159856269
1-(8-ethoxyquinolin-5-yl)ethanol
CID 82264789
3,8-diethoxyquinoline
CID 45094466
5-bromo-8-ethoxyquinoline
CID 100612531
(2-ethoxyphenyl)phosphane
CID 19813759
3-ethoxy-2-fluoropyridine
CID 11355527
8-ethoxyquinoxalin-2-amine
CID 133058071
ethane;3-ethoxy-2-fluoropyridine
CID 144753234
2-bromo-6-ethoxybenzenethiol
CID 91874370
sodium 2-ethoxyphenolate
CID 23671657

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1-methylquinoxalin-1-ium?
The IUPAC name of 5-ethoxy-1-methylquinoxalin-1-ium (CID 134914209) is 5-ethoxy-1-methylquinoxalin-1-ium.
What is the SMILES notation for 5-ethoxy-1-methylquinoxalin-1-ium?
The canonical SMILES for 5-ethoxy-1-methylquinoxalin-1-ium is CCOc1cccc2c1ncc[n+]2C.
What is the InChIKey of 5-ethoxy-1-methylquinoxalin-1-ium?
The InChIKey is PNJSZFFTGQZJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N2O/c1-3-14-10-6-4-5-9-11(10)12-7-8-13(9)2/h4-8H,3H2,1-2H3/q+1.
What are the key properties of 5-ethoxy-1-methylquinoxalin-1-ium?
5-ethoxy-1-methylquinoxalin-1-ium has a molecular weight of 189.24 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1-methylquinoxalin-1-ium is sourced from PubChem (CID 134914209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).