3,3-dimethyl-2,4-dihydro-1H-quinoxaline

C10H14N2 — CID 11961558

IUPAC3,3-dimethyl-2,4-dihydro-1H-quinoxaline
SMILESCC1(C)CNc2ccccc2N1
InChIInChI=1S/C10H14N2/c1-10(2)7-11-8-5-3-4-6-9(8)12-10/h3-6,11-12H,7H2,1-2H3
InChIKeyMESWFJSLPLHJQL-UHFFFAOYSA-N
MW162.24 g/mol
LogP2.30
Rot. Bonds

About 3,3-dimethyl-2,4-dihydro-1H-quinoxaline

3,3-dimethyl-2,4-dihydro-1H-quinoxaline (PubChem CID 11961558) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 3,3-dimethyl-2,4-dihydro-1H-quinoxaline.

Molecular Properties

Compound Name3,3-dimethyl-2,4-dihydro-1H-quinoxaline
PubChem CID11961558
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name3,3-dimethyl-2,4-dihydro-1H-quinoxaline
SMILESCC1(C)CNc2ccccc2N1
InChIInChI=1S/C10H14N2/c1-10(2)7-11-8-5-3-4-6-9(8)12-10/h3-6,11-12H,7H2,1-2H3
InChIKeyMESWFJSLPLHJQL-UHFFFAOYSA-N
XLogP2.30
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2,4-dihydro-1H-quinoxaline?
The IUPAC name of 3,3-dimethyl-2,4-dihydro-1H-quinoxaline (CID 11961558) is 3,3-dimethyl-2,4-dihydro-1H-quinoxaline.
What is the SMILES notation for 3,3-dimethyl-2,4-dihydro-1H-quinoxaline?
The canonical SMILES for 3,3-dimethyl-2,4-dihydro-1H-quinoxaline is CC1(C)CNc2ccccc2N1.
What is the InChIKey of 3,3-dimethyl-2,4-dihydro-1H-quinoxaline?
The InChIKey is MESWFJSLPLHJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-10(2)7-11-8-5-3-4-6-9(8)12-10/h3-6,11-12H,7H2,1-2H3.
What are the key properties of 3,3-dimethyl-2,4-dihydro-1H-quinoxaline?
3,3-dimethyl-2,4-dihydro-1H-quinoxaline has a molecular weight of 162.24 g/mol, XLogP of 2.30, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2,4-dihydro-1H-quinoxaline is sourced from PubChem (CID 11961558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).