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

C17H14N4O2 — CID 18999816

IUPAC6-(3,4-dimethoxyphenyl)-1H-pyrazolo[3,4-g]quinoxaline
SMILESCOc1ccc(-c2cnc3cc4[nH]ncc4cc3n2)cc1OC
InChIInChI=1S/C17H14N4O2/c1-22-16-4-3-10(6-17(16)23-2)15-9-18-13-7-12-11(8-19-21-12)5-14(13)20-15/h3-9H,1-2H3,(H,19,21)
InChIKeyGAICLBXZNBYXRQ-UHFFFAOYSA-N
MW306.33 g/mol
LogP3.19
Rot. Bonds3

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

6-(3,4-dimethoxyphenyl)-1H-pyrazolo[3,4-g]quinoxaline (PubChem CID 18999816) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)-1H-pyrazolo[3,4-g]quinoxaline.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)-1H-pyrazolo[3,4-g]quinoxaline
PubChem CID18999816
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC Name6-(3,4-dimethoxyphenyl)-1H-pyrazolo[3,4-g]quinoxaline
SMILESCOc1ccc(-c2cnc3cc4[nH]ncc4cc3n2)cc1OC
InChIInChI=1S/C17H14N4O2/c1-22-16-4-3-10(6-17(16)23-2)15-9-18-13-7-12-11(8-19-21-12)5-14(13)20-15/h3-9H,1-2H3,(H,19,21)
InChIKeyGAICLBXZNBYXRQ-UHFFFAOYSA-N
XLogP3.19
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxyphenyl)-1H-pyrazolo[3,4-g]quinoxaline?
The IUPAC name of 6-(3,4-dimethoxyphenyl)-1H-pyrazolo[3,4-g]quinoxaline (CID 18999816) is 6-(3,4-dimethoxyphenyl)-1H-pyrazolo[3,4-g]quinoxaline.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)-1H-pyrazolo[3,4-g]quinoxaline?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)-1H-pyrazolo[3,4-g]quinoxaline is COc1ccc(-c2cnc3cc4[nH]ncc4cc3n2)cc1OC.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)-1H-pyrazolo[3,4-g]quinoxaline?
The InChIKey is GAICLBXZNBYXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c1-22-16-4-3-10(6-17(16)23-2)15-9-18-13-7-12-11(8-19-21-12)5-14(13)20-15/h3-9H,1-2H3,(H,19,21).
What are the key properties of 6-(3,4-dimethoxyphenyl)-1H-pyrazolo[3,4-g]quinoxaline?
6-(3,4-dimethoxyphenyl)-1H-pyrazolo[3,4-g]quinoxaline has a molecular weight of 306.33 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxyphenyl)-1H-pyrazolo[3,4-g]quinoxaline is sourced from PubChem (CID 18999816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).