6-ethoxy-3,3,4-trimethyl-1,2-dihydroquinoxaline

C13H20N2O — CID 176936552

IUPAC6-ethoxy-3,3,4-trimethyl-1,2-dihydroquinoxaline
SMILESCCOc1ccc2c(c1)N(C)C(C)(C)CN2
InChIInChI=1S/C13H20N2O/c1-5-16-10-6-7-11-12(8-10)15(4)13(2,3)9-14-11/h6-8,14H,5,9H2,1-4H3
InChIKeyNWLZGYIFHJHILI-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.73
Rot. Bonds2

About 6-ethoxy-3,3,4-trimethyl-1,2-dihydroquinoxaline

6-ethoxy-3,3,4-trimethyl-1,2-dihydroquinoxaline (PubChem CID 176936552) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 6-ethoxy-3,3,4-trimethyl-1,2-dihydroquinoxaline.

Molecular Properties

Compound Name6-ethoxy-3,3,4-trimethyl-1,2-dihydroquinoxaline
PubChem CID176936552
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name6-ethoxy-3,3,4-trimethyl-1,2-dihydroquinoxaline
SMILESCCOc1ccc2c(c1)N(C)C(C)(C)CN2
InChIInChI=1S/C13H20N2O/c1-5-16-10-6-7-11-12(8-10)15(4)13(2,3)9-14-11/h6-8,14H,5,9H2,1-4H3
InChIKeyNWLZGYIFHJHILI-UHFFFAOYSA-N
XLogP2.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-3,3,4-trimethyl-1,2-dihydroquinoxaline?
The IUPAC name of 6-ethoxy-3,3,4-trimethyl-1,2-dihydroquinoxaline (CID 176936552) is 6-ethoxy-3,3,4-trimethyl-1,2-dihydroquinoxaline.
What is the SMILES notation for 6-ethoxy-3,3,4-trimethyl-1,2-dihydroquinoxaline?
The canonical SMILES for 6-ethoxy-3,3,4-trimethyl-1,2-dihydroquinoxaline is CCOc1ccc2c(c1)N(C)C(C)(C)CN2.
What is the InChIKey of 6-ethoxy-3,3,4-trimethyl-1,2-dihydroquinoxaline?
The InChIKey is NWLZGYIFHJHILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-5-16-10-6-7-11-12(8-10)15(4)13(2,3)9-14-11/h6-8,14H,5,9H2,1-4H3.
What are the key properties of 6-ethoxy-3,3,4-trimethyl-1,2-dihydroquinoxaline?
6-ethoxy-3,3,4-trimethyl-1,2-dihydroquinoxaline has a molecular weight of 220.32 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-3,3,4-trimethyl-1,2-dihydroquinoxaline is sourced from PubChem (CID 176936552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).