2,4-dimethyl-8-propan-2-yl-2,3-dihydro-1H-quinoxaline

C13H20N2 — CID 84620477

IUPAC2,4-dimethyl-8-propan-2-yl-2,3-dihydro-1H-quinoxaline
SMILESCC1CN(C)c2cccc(C(C)C)c2N1
InChIInChI=1S/C13H20N2/c1-9(2)11-6-5-7-12-13(11)14-10(3)8-15(12)4/h5-7,9-10,14H,8H2,1-4H3
InChIKeyNUPRYKAMRKGESN-UHFFFAOYSA-N
MW204.32 g/mol
LogP3.06
Rot. Bonds1

About 2,4-dimethyl-8-propan-2-yl-2,3-dihydro-1H-quinoxaline

2,4-dimethyl-8-propan-2-yl-2,3-dihydro-1H-quinoxaline (PubChem CID 84620477) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 2,4-dimethyl-8-propan-2-yl-2,3-dihydro-1H-quinoxaline.

Molecular Properties

Compound Name2,4-dimethyl-8-propan-2-yl-2,3-dihydro-1H-quinoxaline
PubChem CID84620477
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name2,4-dimethyl-8-propan-2-yl-2,3-dihydro-1H-quinoxaline
SMILESCC1CN(C)c2cccc(C(C)C)c2N1
InChIInChI=1S/C13H20N2/c1-9(2)11-6-5-7-12-13(11)14-10(3)8-15(12)4/h5-7,9-10,14H,8H2,1-4H3
InChIKeyNUPRYKAMRKGESN-UHFFFAOYSA-N
XLogP3.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-8-propan-2-yl-2,3-dihydro-1H-quinoxaline?
The IUPAC name of 2,4-dimethyl-8-propan-2-yl-2,3-dihydro-1H-quinoxaline (CID 84620477) is 2,4-dimethyl-8-propan-2-yl-2,3-dihydro-1H-quinoxaline.
What is the SMILES notation for 2,4-dimethyl-8-propan-2-yl-2,3-dihydro-1H-quinoxaline?
The canonical SMILES for 2,4-dimethyl-8-propan-2-yl-2,3-dihydro-1H-quinoxaline is CC1CN(C)c2cccc(C(C)C)c2N1.
What is the InChIKey of 2,4-dimethyl-8-propan-2-yl-2,3-dihydro-1H-quinoxaline?
The InChIKey is NUPRYKAMRKGESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-9(2)11-6-5-7-12-13(11)14-10(3)8-15(12)4/h5-7,9-10,14H,8H2,1-4H3.
What are the key properties of 2,4-dimethyl-8-propan-2-yl-2,3-dihydro-1H-quinoxaline?
2,4-dimethyl-8-propan-2-yl-2,3-dihydro-1H-quinoxaline has a molecular weight of 204.32 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-8-propan-2-yl-2,3-dihydro-1H-quinoxaline is sourced from PubChem (CID 84620477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).