6-ethoxy-2-(nitromethyl)quinoxaline

C11H11N3O3 — CID 119090431

IUPAC6-ethoxy-2-(nitromethyl)quinoxaline
SMILESCCOc1ccc2nc(C[N+](=O)[O-])cnc2c1
InChIInChI=1S/C11H11N3O3/c1-2-17-9-3-4-10-11(5-9)12-6-8(13-10)7-14(15)16/h3-6H,2,7H2,1H3
InChIKeyQEJPPRWFYHGSBG-UHFFFAOYSA-N
MW233.23 g/mol
LogP1.81
Rot. Bonds4

About 6-ethoxy-2-(nitromethyl)quinoxaline

6-ethoxy-2-(nitromethyl)quinoxaline (PubChem CID 119090431) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 6-ethoxy-2-(nitromethyl)quinoxaline.

Molecular Properties

Compound Name6-ethoxy-2-(nitromethyl)quinoxaline
PubChem CID119090431
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name6-ethoxy-2-(nitromethyl)quinoxaline
SMILESCCOc1ccc2nc(C[N+](=O)[O-])cnc2c1
InChIInChI=1S/C11H11N3O3/c1-2-17-9-3-4-10-11(5-9)12-6-8(13-10)7-14(15)16/h3-6H,2,7H2,1H3
InChIKeyQEJPPRWFYHGSBG-UHFFFAOYSA-N
XLogP1.81
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-6-ethoxy-3-nitroquinoline
CID 102614031
2,4-dichloro-6-ethoxy-3-nitroquinoline
CID 97181878
6-ethoxy-3-fluoroquinoline
CID 90101959
6-nitro-2-octylquinoxaline
CID 139992057
2-chloro-6-ethoxy-3-methylquinoxaline
CID 133062262
ethyl 6-methoxyquinoxaline-2-carboxylate
CID 22917221
[2-(2,2-dimethylpropyl)quinoxalin-6-yl] acetate
CID 70251042
2-(4-ethoxyphenyl)-6-nitro-1H-benzimidazole
CID 110539368
4-ethoxy-N-(quinoxalin-2-ylmethyl)aniline
CID 43757884
7-ethoxy-2-iodoquinoline
CID 133063492
2,6-diethoxyanthracene
CID 12651989
4-(6-ethoxy-4-oxidoquinoxalin-4-ium-2-yl)butanoic acid
CID 119026976

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-(nitromethyl)quinoxaline?
The IUPAC name of 6-ethoxy-2-(nitromethyl)quinoxaline (CID 119090431) is 6-ethoxy-2-(nitromethyl)quinoxaline.
What is the SMILES notation for 6-ethoxy-2-(nitromethyl)quinoxaline?
The canonical SMILES for 6-ethoxy-2-(nitromethyl)quinoxaline is CCOc1ccc2nc(C[N+](=O)[O-])cnc2c1.
What is the InChIKey of 6-ethoxy-2-(nitromethyl)quinoxaline?
The InChIKey is QEJPPRWFYHGSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-2-17-9-3-4-10-11(5-9)12-6-8(13-10)7-14(15)16/h3-6H,2,7H2,1H3.
What are the key properties of 6-ethoxy-2-(nitromethyl)quinoxaline?
6-ethoxy-2-(nitromethyl)quinoxaline has a molecular weight of 233.23 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-(nitromethyl)quinoxaline is sourced from PubChem (CID 119090431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).