1-methyl-3-phenylpyrazolo[4,3-b]quinoxaline

C16H12N4 — CID 664134

IUPAC1-methyl-3-phenylpyrazolo[4,3-b]quinoxaline
SMILESCn1nc(-c2ccccc2)c2nc3ccccc3nc21
InChIInChI=1S/C16H12N4/c1-20-16-15(14(19-20)11-7-3-2-4-8-11)17-12-9-5-6-10-13(12)18-16/h2-10H,1H3
InChIKeyKSVFYQHAVVMFSC-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.18
Rot. Bonds1

About 1-methyl-3-phenylpyrazolo[4,3-b]quinoxaline

1-methyl-3-phenylpyrazolo[4,3-b]quinoxaline (PubChem CID 664134) has the molecular formula C16H12N4 and a molecular weight of 260.30 g/mol. Its IUPAC name is 1-methyl-3-phenylpyrazolo[4,3-b]quinoxaline.

Molecular Properties

Compound Name1-methyl-3-phenylpyrazolo[4,3-b]quinoxaline
PubChem CID664134
Molecular FormulaC16H12N4
Molecular Weight260.30 g/mol
Exact Mass260.11
IUPAC Name1-methyl-3-phenylpyrazolo[4,3-b]quinoxaline
SMILESCn1nc(-c2ccccc2)c2nc3ccccc3nc21
InChIInChI=1S/C16H12N4/c1-20-16-15(14(19-20)11-7-3-2-4-8-11)17-12-9-5-6-10-13(12)18-16/h2-10H,1H3
InChIKeyKSVFYQHAVVMFSC-UHFFFAOYSA-N
XLogP3.18
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-phenylpyrazolo[4,3-b]quinoxaline?
The IUPAC name of 1-methyl-3-phenylpyrazolo[4,3-b]quinoxaline (CID 664134) is 1-methyl-3-phenylpyrazolo[4,3-b]quinoxaline.
What is the SMILES notation for 1-methyl-3-phenylpyrazolo[4,3-b]quinoxaline?
The canonical SMILES for 1-methyl-3-phenylpyrazolo[4,3-b]quinoxaline is Cn1nc(-c2ccccc2)c2nc3ccccc3nc21.
What is the InChIKey of 1-methyl-3-phenylpyrazolo[4,3-b]quinoxaline?
The InChIKey is KSVFYQHAVVMFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4/c1-20-16-15(14(19-20)11-7-3-2-4-8-11)17-12-9-5-6-10-13(12)18-16/h2-10H,1H3.
What are the key properties of 1-methyl-3-phenylpyrazolo[4,3-b]quinoxaline?
1-methyl-3-phenylpyrazolo[4,3-b]quinoxaline has a molecular weight of 260.30 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-phenylpyrazolo[4,3-b]quinoxaline is sourced from PubChem (CID 664134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).