6-methyl-7-propan-2-yl-3,7,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinoxaline

C14H20N2O2 — CID 83488305

IUPAC6-methyl-7-propan-2-yl-3,7,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinoxaline
SMILESCC(C)C1CNc2cc3c(cc2N1C)OCCO3
InChIInChI=1S/C14H20N2O2/c1-9(2)12-8-15-10-6-13-14(18-5-4-17-13)7-11(10)16(12)3/h6-7,9,12,15H,4-5,8H2,1-3H3
InChIKeyUNWSJFPPGLAOFH-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.34
Rot. Bonds1

About 6-methyl-7-propan-2-yl-3,7,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinoxaline

6-methyl-7-propan-2-yl-3,7,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinoxaline (PubChem CID 83488305) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 6-methyl-7-propan-2-yl-3,7,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinoxaline.

Molecular Properties

Compound Name6-methyl-7-propan-2-yl-3,7,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinoxaline
PubChem CID83488305
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name6-methyl-7-propan-2-yl-3,7,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinoxaline
SMILESCC(C)C1CNc2cc3c(cc2N1C)OCCO3
InChIInChI=1S/C14H20N2O2/c1-9(2)12-8-15-10-6-13-14(18-5-4-17-13)7-11(10)16(12)3/h6-7,9,12,15H,4-5,8H2,1-3H3
InChIKeyUNWSJFPPGLAOFH-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methyl-7-propan-2-yl-3,7,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinoxaline?
The IUPAC name of 6-methyl-7-propan-2-yl-3,7,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinoxaline (CID 83488305) is 6-methyl-7-propan-2-yl-3,7,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinoxaline.
What is the SMILES notation for 6-methyl-7-propan-2-yl-3,7,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinoxaline?
The canonical SMILES for 6-methyl-7-propan-2-yl-3,7,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinoxaline is CC(C)C1CNc2cc3c(cc2N1C)OCCO3.
What is the InChIKey of 6-methyl-7-propan-2-yl-3,7,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinoxaline?
The InChIKey is UNWSJFPPGLAOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9(2)12-8-15-10-6-13-14(18-5-4-17-13)7-11(10)16(12)3/h6-7,9,12,15H,4-5,8H2,1-3H3.
What are the key properties of 6-methyl-7-propan-2-yl-3,7,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinoxaline?
6-methyl-7-propan-2-yl-3,7,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinoxaline has a molecular weight of 248.33 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-7-propan-2-yl-3,7,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinoxaline is sourced from PubChem (CID 83488305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).