3-phenyl-1-propylpyrazolo[4,3-b]quinoxaline

C18H16N4 — CID 664831

IUPAC3-phenyl-1-propylpyrazolo[4,3-b]quinoxaline
SMILESCCCn1nc(-c2ccccc2)c2nc3ccccc3nc21
InChIInChI=1S/C18H16N4/c1-2-12-22-18-17(16(21-22)13-8-4-3-5-9-13)19-14-10-6-7-11-15(14)20-18/h3-11H,2,12H2,1H3
InChIKeyAGHAXTODSIUYPP-UHFFFAOYSA-N
MW288.35 g/mol
LogP4.06
Rot. Bonds3

About 3-phenyl-1-propylpyrazolo[4,3-b]quinoxaline

3-phenyl-1-propylpyrazolo[4,3-b]quinoxaline (PubChem CID 664831) has the molecular formula C18H16N4 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-phenyl-1-propylpyrazolo[4,3-b]quinoxaline.

Molecular Properties

Compound Name3-phenyl-1-propylpyrazolo[4,3-b]quinoxaline
PubChem CID664831
Molecular FormulaC18H16N4
Molecular Weight288.35 g/mol
Exact Mass288.14
IUPAC Name3-phenyl-1-propylpyrazolo[4,3-b]quinoxaline
SMILESCCCn1nc(-c2ccccc2)c2nc3ccccc3nc21
InChIInChI=1S/C18H16N4/c1-2-12-22-18-17(16(21-22)13-8-4-3-5-9-13)19-14-10-6-7-11-15(14)20-18/h3-11H,2,12H2,1H3
InChIKeyAGHAXTODSIUYPP-UHFFFAOYSA-N
XLogP4.06
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-propylpyrazolo[4,3-b]quinoxaline?
The IUPAC name of 3-phenyl-1-propylpyrazolo[4,3-b]quinoxaline (CID 664831) is 3-phenyl-1-propylpyrazolo[4,3-b]quinoxaline.
What is the SMILES notation for 3-phenyl-1-propylpyrazolo[4,3-b]quinoxaline?
The canonical SMILES for 3-phenyl-1-propylpyrazolo[4,3-b]quinoxaline is CCCn1nc(-c2ccccc2)c2nc3ccccc3nc21.
What is the InChIKey of 3-phenyl-1-propylpyrazolo[4,3-b]quinoxaline?
The InChIKey is AGHAXTODSIUYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4/c1-2-12-22-18-17(16(21-22)13-8-4-3-5-9-13)19-14-10-6-7-11-15(14)20-18/h3-11H,2,12H2,1H3.
What are the key properties of 3-phenyl-1-propylpyrazolo[4,3-b]quinoxaline?
3-phenyl-1-propylpyrazolo[4,3-b]quinoxaline has a molecular weight of 288.35 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-propylpyrazolo[4,3-b]quinoxaline is sourced from PubChem (CID 664831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).