7-(phenoxymethyl)-1H-pyrazolo[4,3-g]quinoxaline

C16H12N4O — CID 18999873

IUPAC7-(phenoxymethyl)-1H-pyrazolo[4,3-g]quinoxaline
SMILESc1ccc(OCc2cnc3cc4cn[nH]c4cc3n2)cc1
InChIInChI=1S/C16H12N4O/c1-2-4-13(5-3-1)21-10-12-9-17-15-6-11-8-18-20-14(11)7-16(15)19-12/h1-9H,10H2,(H,18,20)
InChIKeyPXSGXNBPOXAGHG-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.09
Rot. Bonds3

About 7-(phenoxymethyl)-1H-pyrazolo[4,3-g]quinoxaline

7-(phenoxymethyl)-1H-pyrazolo[4,3-g]quinoxaline (PubChem CID 18999873) has the molecular formula C16H12N4O and a molecular weight of 276.30 g/mol. Its IUPAC name is 7-(phenoxymethyl)-1H-pyrazolo[4,3-g]quinoxaline.

Molecular Properties

Compound Name7-(phenoxymethyl)-1H-pyrazolo[4,3-g]quinoxaline
PubChem CID18999873
Molecular FormulaC16H12N4O
Molecular Weight276.30 g/mol
Exact Mass276.10
IUPAC Name7-(phenoxymethyl)-1H-pyrazolo[4,3-g]quinoxaline
SMILESc1ccc(OCc2cnc3cc4cn[nH]c4cc3n2)cc1
InChIInChI=1S/C16H12N4O/c1-2-4-13(5-3-1)21-10-12-9-17-15-6-11-8-18-20-14(11)7-16(15)19-12/h1-9H,10H2,(H,18,20)
InChIKeyPXSGXNBPOXAGHG-UHFFFAOYSA-N
XLogP3.09
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(phenoxymethyl)-1H-pyrazolo[4,3-g]quinoxaline?
The IUPAC name of 7-(phenoxymethyl)-1H-pyrazolo[4,3-g]quinoxaline (CID 18999873) is 7-(phenoxymethyl)-1H-pyrazolo[4,3-g]quinoxaline.
What is the SMILES notation for 7-(phenoxymethyl)-1H-pyrazolo[4,3-g]quinoxaline?
The canonical SMILES for 7-(phenoxymethyl)-1H-pyrazolo[4,3-g]quinoxaline is c1ccc(OCc2cnc3cc4cn[nH]c4cc3n2)cc1.
What is the InChIKey of 7-(phenoxymethyl)-1H-pyrazolo[4,3-g]quinoxaline?
The InChIKey is PXSGXNBPOXAGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O/c1-2-4-13(5-3-1)21-10-12-9-17-15-6-11-8-18-20-14(11)7-16(15)19-12/h1-9H,10H2,(H,18,20).
What are the key properties of 7-(phenoxymethyl)-1H-pyrazolo[4,3-g]quinoxaline?
7-(phenoxymethyl)-1H-pyrazolo[4,3-g]quinoxaline has a molecular weight of 276.30 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(phenoxymethyl)-1H-pyrazolo[4,3-g]quinoxaline is sourced from PubChem (CID 18999873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).