3-(3-methylphenyl)-2-phenylimidazo[4,5-b]quinoxaline

C22H16N4 — CID 920331

IUPAC3-(3-methylphenyl)-2-phenylimidazo[4,5-b]quinoxaline
SMILESCc1cccc(-n2c(-c3ccccc3)nc3nc4ccccc4nc32)c1
InChIInChI=1S/C22H16N4/c1-15-8-7-11-17(14-15)26-21(16-9-3-2-4-10-16)25-20-22(26)24-19-13-6-5-12-18(19)23-20/h2-14H,1H3
InChIKeyWDAOILDNGRDGRF-UHFFFAOYSA-N
MW336.40 g/mol
LogP4.94
Rot. Bonds2

About 3-(3-methylphenyl)-2-phenylimidazo[4,5-b]quinoxaline

3-(3-methylphenyl)-2-phenylimidazo[4,5-b]quinoxaline (PubChem CID 920331) has the molecular formula C22H16N4 and a molecular weight of 336.40 g/mol. Its IUPAC name is 3-(3-methylphenyl)-2-phenylimidazo[4,5-b]quinoxaline.

Molecular Properties

Compound Name3-(3-methylphenyl)-2-phenylimidazo[4,5-b]quinoxaline
PubChem CID920331
Molecular FormulaC22H16N4
Molecular Weight336.40 g/mol
Exact Mass336.14
IUPAC Name3-(3-methylphenyl)-2-phenylimidazo[4,5-b]quinoxaline
SMILESCc1cccc(-n2c(-c3ccccc3)nc3nc4ccccc4nc32)c1
InChIInChI=1S/C22H16N4/c1-15-8-7-11-17(14-15)26-21(16-9-3-2-4-10-16)25-20-22(26)24-19-13-6-5-12-18(19)23-20/h2-14H,1H3
InChIKeyWDAOILDNGRDGRF-UHFFFAOYSA-N
XLogP4.94
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-2-phenylimidazo[4,5-b]quinoxaline?
The IUPAC name of 3-(3-methylphenyl)-2-phenylimidazo[4,5-b]quinoxaline (CID 920331) is 3-(3-methylphenyl)-2-phenylimidazo[4,5-b]quinoxaline.
What is the SMILES notation for 3-(3-methylphenyl)-2-phenylimidazo[4,5-b]quinoxaline?
The canonical SMILES for 3-(3-methylphenyl)-2-phenylimidazo[4,5-b]quinoxaline is Cc1cccc(-n2c(-c3ccccc3)nc3nc4ccccc4nc32)c1.
What is the InChIKey of 3-(3-methylphenyl)-2-phenylimidazo[4,5-b]quinoxaline?
The InChIKey is WDAOILDNGRDGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4/c1-15-8-7-11-17(14-15)26-21(16-9-3-2-4-10-16)25-20-22(26)24-19-13-6-5-12-18(19)23-20/h2-14H,1H3.
What are the key properties of 3-(3-methylphenyl)-2-phenylimidazo[4,5-b]quinoxaline?
3-(3-methylphenyl)-2-phenylimidazo[4,5-b]quinoxaline has a molecular weight of 336.40 g/mol, XLogP of 4.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-2-phenylimidazo[4,5-b]quinoxaline is sourced from PubChem (CID 920331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).