10-([1]benzofuro[2,3-b]pyrazin-7-yl)phenoxazine

C22H13N3O2 — CID 134351385

IUPAC10-([1]benzofuro[2,3-b]pyrazin-7-yl)phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1ccc2c(c1)oc1nccnc12
InChIInChI=1S/C22H13N3O2/c1-3-7-18-16(5-1)25(17-6-2-4-8-19(17)26-18)14-9-10-15-20(13-14)27-22-21(15)23-11-12-24-22/h1-13H
InChIKeyYJMQASKGWZMVIJ-UHFFFAOYSA-N
MW351.37 g/mol
LogP5.95
Rot. Bonds1

About 10-([1]benzofuro[2,3-b]pyrazin-7-yl)phenoxazine

10-([1]benzofuro[2,3-b]pyrazin-7-yl)phenoxazine (PubChem CID 134351385) has the molecular formula C22H13N3O2 and a molecular weight of 351.37 g/mol. Its IUPAC name is 10-([1]benzofuro[2,3-b]pyrazin-7-yl)phenoxazine.

Molecular Properties

Compound Name10-([1]benzofuro[2,3-b]pyrazin-7-yl)phenoxazine
PubChem CID134351385
Molecular FormulaC22H13N3O2
Molecular Weight351.37 g/mol
Exact Mass351.10
IUPAC Name10-([1]benzofuro[2,3-b]pyrazin-7-yl)phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1ccc2c(c1)oc1nccnc12
InChIInChI=1S/C22H13N3O2/c1-3-7-18-16(5-1)25(17-6-2-4-8-19(17)26-18)14-9-10-15-20(13-14)27-22-21(15)23-11-12-24-22/h1-13H
InChIKeyYJMQASKGWZMVIJ-UHFFFAOYSA-N
XLogP5.95
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms27
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.37
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 10-([1]benzofuro[2,3-b]pyrazin-7-yl)phenoxazine?
The IUPAC name of 10-([1]benzofuro[2,3-b]pyrazin-7-yl)phenoxazine (CID 134351385) is 10-([1]benzofuro[2,3-b]pyrazin-7-yl)phenoxazine.
What is the SMILES notation for 10-([1]benzofuro[2,3-b]pyrazin-7-yl)phenoxazine?
The canonical SMILES for 10-([1]benzofuro[2,3-b]pyrazin-7-yl)phenoxazine is c1ccc2c(c1)Oc1ccccc1N2c1ccc2c(c1)oc1nccnc12.
What is the InChIKey of 10-([1]benzofuro[2,3-b]pyrazin-7-yl)phenoxazine?
The InChIKey is YJMQASKGWZMVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13N3O2/c1-3-7-18-16(5-1)25(17-6-2-4-8-19(17)26-18)14-9-10-15-20(13-14)27-22-21(15)23-11-12-24-22/h1-13H.
What are the key properties of 10-([1]benzofuro[2,3-b]pyrazin-7-yl)phenoxazine?
10-([1]benzofuro[2,3-b]pyrazin-7-yl)phenoxazine has a molecular weight of 351.37 g/mol, XLogP of 5.95, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-([1]benzofuro[2,3-b]pyrazin-7-yl)phenoxazine is sourced from PubChem (CID 134351385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).