8-ethyl-6-(2-methylprop-2-enyl)-2,3,8,9-tetrahydro-[1,4]dioxino[2,3-g]quinoxalin-7-one

C16H20N2O3 — CID 82157756

IUPAC8-ethyl-6-(2-methylprop-2-enyl)-2,3,8,9-tetrahydro-[1,4]dioxino[2,3-g]quinoxalin-7-one
SMILESC=C(C)CN1C(=O)C(CC)Nc2cc3c(cc21)OCCO3
InChIInChI=1S/C16H20N2O3/c1-4-11-16(19)18(9-10(2)3)13-8-15-14(7-12(13)17-11)20-5-6-21-15/h7-8,11,17H,2,4-6,9H2,1,3H3
InChIKeyGXGXOAPOSCNTSX-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.57
Rot. Bonds3

About 8-ethyl-6-(2-methylprop-2-enyl)-2,3,8,9-tetrahydro-[1,4]dioxino[2,3-g]quinoxalin-7-one

8-ethyl-6-(2-methylprop-2-enyl)-2,3,8,9-tetrahydro-[1,4]dioxino[2,3-g]quinoxalin-7-one (PubChem CID 82157756) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 8-ethyl-6-(2-methylprop-2-enyl)-2,3,8,9-tetrahydro-[1,4]dioxino[2,3-g]quinoxalin-7-one.

Molecular Properties

Compound Name8-ethyl-6-(2-methylprop-2-enyl)-2,3,8,9-tetrahydro-[1,4]dioxino[2,3-g]quinoxalin-7-one
PubChem CID82157756
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name8-ethyl-6-(2-methylprop-2-enyl)-2,3,8,9-tetrahydro-[1,4]dioxino[2,3-g]quinoxalin-7-one
SMILESC=C(C)CN1C(=O)C(CC)Nc2cc3c(cc21)OCCO3
InChIInChI=1S/C16H20N2O3/c1-4-11-16(19)18(9-10(2)3)13-8-15-14(7-12(13)17-11)20-5-6-21-15/h7-8,11,17H,2,4-6,9H2,1,3H3
InChIKeyGXGXOAPOSCNTSX-UHFFFAOYSA-N
XLogP2.57
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-6-(2-methylprop-2-enyl)-2,3,8,9-tetrahydro-[1,4]dioxino[2,3-g]quinoxalin-7-one?
The IUPAC name of 8-ethyl-6-(2-methylprop-2-enyl)-2,3,8,9-tetrahydro-[1,4]dioxino[2,3-g]quinoxalin-7-one (CID 82157756) is 8-ethyl-6-(2-methylprop-2-enyl)-2,3,8,9-tetrahydro-[1,4]dioxino[2,3-g]quinoxalin-7-one.
What is the SMILES notation for 8-ethyl-6-(2-methylprop-2-enyl)-2,3,8,9-tetrahydro-[1,4]dioxino[2,3-g]quinoxalin-7-one?
The canonical SMILES for 8-ethyl-6-(2-methylprop-2-enyl)-2,3,8,9-tetrahydro-[1,4]dioxino[2,3-g]quinoxalin-7-one is C=C(C)CN1C(=O)C(CC)Nc2cc3c(cc21)OCCO3.
What is the InChIKey of 8-ethyl-6-(2-methylprop-2-enyl)-2,3,8,9-tetrahydro-[1,4]dioxino[2,3-g]quinoxalin-7-one?
The InChIKey is GXGXOAPOSCNTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-4-11-16(19)18(9-10(2)3)13-8-15-14(7-12(13)17-11)20-5-6-21-15/h7-8,11,17H,2,4-6,9H2,1,3H3.
What are the key properties of 8-ethyl-6-(2-methylprop-2-enyl)-2,3,8,9-tetrahydro-[1,4]dioxino[2,3-g]quinoxalin-7-one?
8-ethyl-6-(2-methylprop-2-enyl)-2,3,8,9-tetrahydro-[1,4]dioxino[2,3-g]quinoxalin-7-one has a molecular weight of 288.35 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-6-(2-methylprop-2-enyl)-2,3,8,9-tetrahydro-[1,4]dioxino[2,3-g]quinoxalin-7-one is sourced from PubChem (CID 82157756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).