1-(3,5-dimethylphenyl)-2H-quinoxaline

C16H16N2 — CID 174811406

IUPAC1-(3,5-dimethylphenyl)-2H-quinoxaline
SMILESCc1cc(C)cc(N2CC=Nc3ccccc32)c1
InChIInChI=1S/C16H16N2/c1-12-9-13(2)11-14(10-12)18-8-7-17-15-5-3-4-6-16(15)18/h3-7,9-11H,8H2,1-2H3
InChIKeyYHWBKCHHZBZSFR-UHFFFAOYSA-N
MW236.32 g/mol
LogP4.16
Rot. Bonds1

About 1-(3,5-dimethylphenyl)-2H-quinoxaline

1-(3,5-dimethylphenyl)-2H-quinoxaline (PubChem CID 174811406) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-2H-quinoxaline.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-2H-quinoxaline
PubChem CID174811406
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name1-(3,5-dimethylphenyl)-2H-quinoxaline
SMILESCc1cc(C)cc(N2CC=Nc3ccccc32)c1
InChIInChI=1S/C16H16N2/c1-12-9-13(2)11-14(10-12)18-8-7-17-15-5-3-4-6-16(15)18/h3-7,9-11H,8H2,1-2H3
InChIKeyYHWBKCHHZBZSFR-UHFFFAOYSA-N
XLogP4.16
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-2H-quinoxaline?
The IUPAC name of 1-(3,5-dimethylphenyl)-2H-quinoxaline (CID 174811406) is 1-(3,5-dimethylphenyl)-2H-quinoxaline.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-2H-quinoxaline?
The canonical SMILES for 1-(3,5-dimethylphenyl)-2H-quinoxaline is Cc1cc(C)cc(N2CC=Nc3ccccc32)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-2H-quinoxaline?
The InChIKey is YHWBKCHHZBZSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c1-12-9-13(2)11-14(10-12)18-8-7-17-15-5-3-4-6-16(15)18/h3-7,9-11H,8H2,1-2H3.
What are the key properties of 1-(3,5-dimethylphenyl)-2H-quinoxaline?
1-(3,5-dimethylphenyl)-2H-quinoxaline has a molecular weight of 236.32 g/mol, XLogP of 4.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-2H-quinoxaline is sourced from PubChem (CID 174811406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).