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

C16H12N4 — CID 18999822

IUPAC6-(4-methylphenyl)-1H-pyrazolo[3,4-g]quinoxaline
SMILESCc1ccc(-c2cnc3cc4[nH]ncc4cc3n2)cc1
InChIInChI=1S/C16H12N4/c1-10-2-4-11(5-3-10)16-9-17-14-7-13-12(8-18-20-13)6-15(14)19-16/h2-9H,1H3,(H,18,20)
InChIKeyIERQPCMPCHUTTC-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.48
Rot. Bonds1

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

6-(4-methylphenyl)-1H-pyrazolo[3,4-g]quinoxaline (PubChem CID 18999822) has the molecular formula C16H12N4 and a molecular weight of 260.30 g/mol. Its IUPAC name is 6-(4-methylphenyl)-1H-pyrazolo[3,4-g]quinoxaline.

Molecular Properties

Compound Name6-(4-methylphenyl)-1H-pyrazolo[3,4-g]quinoxaline
PubChem CID18999822
Molecular FormulaC16H12N4
Molecular Weight260.30 g/mol
Exact Mass260.11
IUPAC Name6-(4-methylphenyl)-1H-pyrazolo[3,4-g]quinoxaline
SMILESCc1ccc(-c2cnc3cc4[nH]ncc4cc3n2)cc1
InChIInChI=1S/C16H12N4/c1-10-2-4-11(5-3-10)16-9-17-14-7-13-12(8-18-20-13)6-15(14)19-16/h2-9H,1H3,(H,18,20)
InChIKeyIERQPCMPCHUTTC-UHFFFAOYSA-N
XLogP3.48
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)-1H-pyrazolo[3,4-g]quinoxaline?
The IUPAC name of 6-(4-methylphenyl)-1H-pyrazolo[3,4-g]quinoxaline (CID 18999822) is 6-(4-methylphenyl)-1H-pyrazolo[3,4-g]quinoxaline.
What is the SMILES notation for 6-(4-methylphenyl)-1H-pyrazolo[3,4-g]quinoxaline?
The canonical SMILES for 6-(4-methylphenyl)-1H-pyrazolo[3,4-g]quinoxaline is Cc1ccc(-c2cnc3cc4[nH]ncc4cc3n2)cc1.
What is the InChIKey of 6-(4-methylphenyl)-1H-pyrazolo[3,4-g]quinoxaline?
The InChIKey is IERQPCMPCHUTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4/c1-10-2-4-11(5-3-10)16-9-17-14-7-13-12(8-18-20-13)6-15(14)19-16/h2-9H,1H3,(H,18,20).
What are the key properties of 6-(4-methylphenyl)-1H-pyrazolo[3,4-g]quinoxaline?
6-(4-methylphenyl)-1H-pyrazolo[3,4-g]quinoxaline has a molecular weight of 260.30 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)-1H-pyrazolo[3,4-g]quinoxaline is sourced from PubChem (CID 18999822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).