6-(3,4-dimethylphenyl)-1H-pyrazolo[3,4-g]quinoxaline

C17H14N4 — CID 18999842

IUPAC6-(3,4-dimethylphenyl)-1H-pyrazolo[3,4-g]quinoxaline
SMILESCc1ccc(-c2cnc3cc4[nH]ncc4cc3n2)cc1C
InChIInChI=1S/C17H14N4/c1-10-3-4-12(5-11(10)2)17-9-18-15-7-14-13(8-19-21-14)6-16(15)20-17/h3-9H,1-2H3,(H,19,21)
InChIKeyAWCZTZNATBNPFO-UHFFFAOYSA-N
MW274.33 g/mol
LogP3.79
Rot. Bonds1

About 6-(3,4-dimethylphenyl)-1H-pyrazolo[3,4-g]quinoxaline

6-(3,4-dimethylphenyl)-1H-pyrazolo[3,4-g]quinoxaline (PubChem CID 18999842) has the molecular formula C17H14N4 and a molecular weight of 274.33 g/mol. Its IUPAC name is 6-(3,4-dimethylphenyl)-1H-pyrazolo[3,4-g]quinoxaline.

Molecular Properties

Compound Name6-(3,4-dimethylphenyl)-1H-pyrazolo[3,4-g]quinoxaline
PubChem CID18999842
Molecular FormulaC17H14N4
Molecular Weight274.33 g/mol
Exact Mass274.12
IUPAC Name6-(3,4-dimethylphenyl)-1H-pyrazolo[3,4-g]quinoxaline
SMILESCc1ccc(-c2cnc3cc4[nH]ncc4cc3n2)cc1C
InChIInChI=1S/C17H14N4/c1-10-3-4-12(5-11(10)2)17-9-18-15-7-14-13(8-19-21-14)6-16(15)20-17/h3-9H,1-2H3,(H,19,21)
InChIKeyAWCZTZNATBNPFO-UHFFFAOYSA-N
XLogP3.79
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethylphenyl)-1H-pyrazolo[3,4-g]quinoxaline?
The IUPAC name of 6-(3,4-dimethylphenyl)-1H-pyrazolo[3,4-g]quinoxaline (CID 18999842) is 6-(3,4-dimethylphenyl)-1H-pyrazolo[3,4-g]quinoxaline.
What is the SMILES notation for 6-(3,4-dimethylphenyl)-1H-pyrazolo[3,4-g]quinoxaline?
The canonical SMILES for 6-(3,4-dimethylphenyl)-1H-pyrazolo[3,4-g]quinoxaline is Cc1ccc(-c2cnc3cc4[nH]ncc4cc3n2)cc1C.
What is the InChIKey of 6-(3,4-dimethylphenyl)-1H-pyrazolo[3,4-g]quinoxaline?
The InChIKey is AWCZTZNATBNPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4/c1-10-3-4-12(5-11(10)2)17-9-18-15-7-14-13(8-19-21-14)6-16(15)20-17/h3-9H,1-2H3,(H,19,21).
What are the key properties of 6-(3,4-dimethylphenyl)-1H-pyrazolo[3,4-g]quinoxaline?
6-(3,4-dimethylphenyl)-1H-pyrazolo[3,4-g]quinoxaline has a molecular weight of 274.33 g/mol, XLogP of 3.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethylphenyl)-1H-pyrazolo[3,4-g]quinoxaline is sourced from PubChem (CID 18999842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).