7-ethyl-6-(2-ethylbutyl)-3,7,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinoxaline

C18H28N2O2 — CID 82156617

IUPAC7-ethyl-6-(2-ethylbutyl)-3,7,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinoxaline
SMILESCCC(CC)CN1c2cc3c(cc2NCC1CC)OCCO3
InChIInChI=1S/C18H28N2O2/c1-4-13(5-2)12-20-14(6-3)11-19-15-9-17-18(10-16(15)20)22-8-7-21-17/h9-10,13-14,19H,4-8,11-12H2,1-3H3
InChIKeyVJOOHQJMCARYFG-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.90
Rot. Bonds5

About 7-ethyl-6-(2-ethylbutyl)-3,7,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinoxaline

7-ethyl-6-(2-ethylbutyl)-3,7,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinoxaline (PubChem CID 82156617) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 7-ethyl-6-(2-ethylbutyl)-3,7,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinoxaline.

Molecular Properties

Compound Name7-ethyl-6-(2-ethylbutyl)-3,7,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinoxaline
PubChem CID82156617
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name7-ethyl-6-(2-ethylbutyl)-3,7,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinoxaline
SMILESCCC(CC)CN1c2cc3c(cc2NCC1CC)OCCO3
InChIInChI=1S/C18H28N2O2/c1-4-13(5-2)12-20-14(6-3)11-19-15-9-17-18(10-16(15)20)22-8-7-21-17/h9-10,13-14,19H,4-8,11-12H2,1-3H3
InChIKeyVJOOHQJMCARYFG-UHFFFAOYSA-N
XLogP3.90
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-ethyl-6-(2-ethylbutyl)-3,7,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinoxaline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-methyl-6-(2-methylpropyl)-3,7,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinoxaline
CID 82156575
6-methyl-7-propan-2-yl-3,7,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinoxaline
CID 83488305
6-(cyclohexylmethyl)-7-methyl-3,7,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinoxaline
CID 82156654
6-ethyl-7,7-dimethyl-2,3,8,9-tetrahydro-[1,4]dioxino[2,3-g]quinoxaline
CID 82156529
8-ethyl-6-(2-methylprop-2-enyl)-2,3,8,9-tetrahydro-[1,4]dioxino[2,3-g]quinoxalin-7-one
CID 82157756
2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)butan-1-ol
CID 116930737
2-methyl-2,3,6,7-tetrahydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 123714263
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-5-methylpiperazine
CID 64954262
8-cyclohexyl-3,6,7,8-tetrahydro-2H-[1,4]dioxino[2,3-f]indole
CID 82184556
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-5,5-dimethylpiperazine
CID 64931800
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanol
CID 83135383
1-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)butan-2-amine
CID 82145800

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-6-(2-ethylbutyl)-3,7,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinoxaline?
The IUPAC name of 7-ethyl-6-(2-ethylbutyl)-3,7,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinoxaline (CID 82156617) is 7-ethyl-6-(2-ethylbutyl)-3,7,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinoxaline.
What is the SMILES notation for 7-ethyl-6-(2-ethylbutyl)-3,7,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinoxaline?
The canonical SMILES for 7-ethyl-6-(2-ethylbutyl)-3,7,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinoxaline is CCC(CC)CN1c2cc3c(cc2NCC1CC)OCCO3.
What is the InChIKey of 7-ethyl-6-(2-ethylbutyl)-3,7,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinoxaline?
The InChIKey is VJOOHQJMCARYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-4-13(5-2)12-20-14(6-3)11-19-15-9-17-18(10-16(15)20)22-8-7-21-17/h9-10,13-14,19H,4-8,11-12H2,1-3H3.
What are the key properties of 7-ethyl-6-(2-ethylbutyl)-3,7,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinoxaline?
7-ethyl-6-(2-ethylbutyl)-3,7,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinoxaline has a molecular weight of 304.43 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-6-(2-ethylbutyl)-3,7,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinoxaline is sourced from PubChem (CID 82156617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).