6-ethyl-7,7-dimethyl-2,3,8,9-tetrahydro-[1,4]dioxino[2,3-g]quinoxaline

C14H20N2O2 — CID 82156529

IUPAC6-ethyl-7,7-dimethyl-2,3,8,9-tetrahydro-[1,4]dioxino[2,3-g]quinoxaline
SMILESCCN1c2cc3c(cc2NCC1(C)C)OCCO3
InChIInChI=1S/C14H20N2O2/c1-4-16-11-8-13-12(17-5-6-18-13)7-10(11)15-9-14(16,2)3/h7-8,15H,4-6,9H2,1-3H3
InChIKeyDVKLZBCDFGAXOB-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.49
Rot. Bonds1

About 6-ethyl-7,7-dimethyl-2,3,8,9-tetrahydro-[1,4]dioxino[2,3-g]quinoxaline

6-ethyl-7,7-dimethyl-2,3,8,9-tetrahydro-[1,4]dioxino[2,3-g]quinoxaline (PubChem CID 82156529) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 6-ethyl-7,7-dimethyl-2,3,8,9-tetrahydro-[1,4]dioxino[2,3-g]quinoxaline.

Molecular Properties

Compound Name6-ethyl-7,7-dimethyl-2,3,8,9-tetrahydro-[1,4]dioxino[2,3-g]quinoxaline
PubChem CID82156529
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name6-ethyl-7,7-dimethyl-2,3,8,9-tetrahydro-[1,4]dioxino[2,3-g]quinoxaline
SMILESCCN1c2cc3c(cc2NCC1(C)C)OCCO3
InChIInChI=1S/C14H20N2O2/c1-4-16-11-8-13-12(17-5-6-18-13)7-10(11)15-9-14(16,2)3/h7-8,15H,4-6,9H2,1-3H3
InChIKeyDVKLZBCDFGAXOB-UHFFFAOYSA-N
XLogP2.49
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

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Related Compounds

4-ethyl-7-fluoro-3,3,6-trimethyl-1,2-dihydroquinoxaline
CID 103594586
4-benzyl-3,3,6,7-tetramethyl-1,2-dihydroquinoxaline
CID 82156683
7-ethyl-6-(2-ethylbutyl)-3,7,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinoxaline
CID 82156617
4-ethyl-3,3-dimethyl-2H-1,4-benzoxazine
CID 144630520
7-methyl-6-(2-methylpropyl)-3,7,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinoxaline
CID 82156575
4-[(3,4-difluorophenyl)methyl]-3,3,6,7-tetramethyl-1,2-dihydroquinoxaline
CID 94763795
6-methyl-7-propan-2-yl-3,7,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinoxaline
CID 83488305
3-(7,7-dimethyl-8-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoxalin-9-yl)propanoic acid
CID 94765802
6-(cyclohexylmethyl)-7-methyl-3,7,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinoxaline
CID 82156654
2-methyl-2,3,6,7-tetrahydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 123714263
6-(2,2-dimethylmorpholin-4-yl)-2,3-dihydro-1,4-benzodioxin-7-amine
CID 43592539
6-prop-2-enyl-2,3,8,9-tetrahydro-[1,4]dioxino[2,3-g]quinoxalin-7-one
CID 82157794

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-7,7-dimethyl-2,3,8,9-tetrahydro-[1,4]dioxino[2,3-g]quinoxaline?
The IUPAC name of 6-ethyl-7,7-dimethyl-2,3,8,9-tetrahydro-[1,4]dioxino[2,3-g]quinoxaline (CID 82156529) is 6-ethyl-7,7-dimethyl-2,3,8,9-tetrahydro-[1,4]dioxino[2,3-g]quinoxaline.
What is the SMILES notation for 6-ethyl-7,7-dimethyl-2,3,8,9-tetrahydro-[1,4]dioxino[2,3-g]quinoxaline?
The canonical SMILES for 6-ethyl-7,7-dimethyl-2,3,8,9-tetrahydro-[1,4]dioxino[2,3-g]quinoxaline is CCN1c2cc3c(cc2NCC1(C)C)OCCO3.
What is the InChIKey of 6-ethyl-7,7-dimethyl-2,3,8,9-tetrahydro-[1,4]dioxino[2,3-g]quinoxaline?
The InChIKey is DVKLZBCDFGAXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-4-16-11-8-13-12(17-5-6-18-13)7-10(11)15-9-14(16,2)3/h7-8,15H,4-6,9H2,1-3H3.
What are the key properties of 6-ethyl-7,7-dimethyl-2,3,8,9-tetrahydro-[1,4]dioxino[2,3-g]quinoxaline?
6-ethyl-7,7-dimethyl-2,3,8,9-tetrahydro-[1,4]dioxino[2,3-g]quinoxaline has a molecular weight of 248.33 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-7,7-dimethyl-2,3,8,9-tetrahydro-[1,4]dioxino[2,3-g]quinoxaline is sourced from PubChem (CID 82156529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).