1,2-diphenylpyrrolo[3,2-b]quinoxaline

C22H15N3 — CID 3046546

IUPAC1,2-diphenylpyrrolo[3,2-b]quinoxaline
SMILESc1ccc(-c2cc3nc4ccccc4nc3n2-c2ccccc2)cc1
InChIInChI=1S/C22H15N3/c1-3-9-16(10-4-1)21-15-20-22(25(21)17-11-5-2-6-12-17)24-19-14-8-7-13-18(19)23-20/h1-15H
InChIKeyNBDPNRITSYGWPM-UHFFFAOYSA-N
MW321.38 g/mol
LogP5.24
Rot. Bonds2

About 1,2-diphenylpyrrolo[3,2-b]quinoxaline

1,2-diphenylpyrrolo[3,2-b]quinoxaline (PubChem CID 3046546) has the molecular formula C22H15N3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1,2-diphenylpyrrolo[3,2-b]quinoxaline.

Molecular Properties

Compound Name1,2-diphenylpyrrolo[3,2-b]quinoxaline
PubChem CID3046546
Molecular FormulaC22H15N3
Molecular Weight321.38 g/mol
Exact Mass321.13
IUPAC Name1,2-diphenylpyrrolo[3,2-b]quinoxaline
SMILESc1ccc(-c2cc3nc4ccccc4nc3n2-c2ccccc2)cc1
InChIInChI=1S/C22H15N3/c1-3-9-16(10-4-1)21-15-20-22(25(21)17-11-5-2-6-12-17)24-19-14-8-7-13-18(19)23-20/h1-15H
InChIKeyNBDPNRITSYGWPM-UHFFFAOYSA-N
XLogP5.24
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.38
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2-diphenylpyrrolo[3,2-b]quinoxaline?
The IUPAC name of 1,2-diphenylpyrrolo[3,2-b]quinoxaline (CID 3046546) is 1,2-diphenylpyrrolo[3,2-b]quinoxaline.
What is the SMILES notation for 1,2-diphenylpyrrolo[3,2-b]quinoxaline?
The canonical SMILES for 1,2-diphenylpyrrolo[3,2-b]quinoxaline is c1ccc(-c2cc3nc4ccccc4nc3n2-c2ccccc2)cc1.
What is the InChIKey of 1,2-diphenylpyrrolo[3,2-b]quinoxaline?
The InChIKey is NBDPNRITSYGWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3/c1-3-9-16(10-4-1)21-15-20-22(25(21)17-11-5-2-6-12-17)24-19-14-8-7-13-18(19)23-20/h1-15H.
What are the key properties of 1,2-diphenylpyrrolo[3,2-b]quinoxaline?
1,2-diphenylpyrrolo[3,2-b]quinoxaline has a molecular weight of 321.38 g/mol, XLogP of 5.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenylpyrrolo[3,2-b]quinoxaline is sourced from PubChem (CID 3046546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).