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

C22H15N5O2 — CID 1423712

IUPAC3-(2-methylphenyl)-2-(4-nitrophenyl)imidazo[4,5-b]quinoxaline
SMILESCc1ccccc1-n1c(-c2ccc([N+](=O)[O-])cc2)nc2nc3ccccc3nc21
InChIInChI=1S/C22H15N5O2/c1-14-6-2-5-9-19(14)26-21(15-10-12-16(13-11-15)27(28)29)25-20-22(26)24-18-8-4-3-7-17(18)23-20/h2-13H,1H3
InChIKeyJMDFKVNPPMDEOO-UHFFFAOYSA-N
MW381.40 g/mol
LogP4.85
Rot. Bonds3

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

3-(2-methylphenyl)-2-(4-nitrophenyl)imidazo[4,5-b]quinoxaline (PubChem CID 1423712) has the molecular formula C22H15N5O2 and a molecular weight of 381.40 g/mol. Its IUPAC name is 3-(2-methylphenyl)-2-(4-nitrophenyl)imidazo[4,5-b]quinoxaline.

Molecular Properties

Compound Name3-(2-methylphenyl)-2-(4-nitrophenyl)imidazo[4,5-b]quinoxaline
PubChem CID1423712
Molecular FormulaC22H15N5O2
Molecular Weight381.40 g/mol
Exact Mass381.12
IUPAC Name3-(2-methylphenyl)-2-(4-nitrophenyl)imidazo[4,5-b]quinoxaline
SMILESCc1ccccc1-n1c(-c2ccc([N+](=O)[O-])cc2)nc2nc3ccccc3nc21
InChIInChI=1S/C22H15N5O2/c1-14-6-2-5-9-19(14)26-21(15-10-12-16(13-11-15)27(28)29)25-20-22(26)24-18-8-4-3-7-17(18)23-20/h2-13H,1H3
InChIKeyJMDFKVNPPMDEOO-UHFFFAOYSA-N
XLogP4.85
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,3-Dimethyl-2-(4-nitro-phenyl)-3H-benzoimidazol-1-ium, iodide
CID 44659765
Diethyl-(2-indolo[2,3-b]quinoxalin-6-yl-ethyl)-amine
CID 816945
6,7-dimethyl-6H-indolo[2,3-b]quinoxaline
CID 3742567
6-Methyl[1,3]benzimidazo[1,2-c]quinazoline
CID 616273
5H-spiro[benzimidazo[1,2-c]quinazoline-6,1'-cyclohexane]
CID 618861
1H-Benzimidazole, 1-methyl-2-(4-nitrophenyl)-
CID 774862
6-propyl-6H-indolo[2,3-b]quinoxaline
CID 873559
B 220
CID 130705
9-Nitro-6H-indolo(2,3-b)quinoxaline
CID 5357493
5,10-Dioxy-2-phenyl-benzo[g]pteridin-4-ylamine
CID 135468219
1,3-dimethyl-2-(3-nitrophenyl)-1H-3,1-benzimidazol-3-ium chloride
CID 2867198
5-Phenyl-2-oxa-1,3,4,5a,10-pentaaza-cyclopenta[a]fluorene
CID 650321

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-2-(4-nitrophenyl)imidazo[4,5-b]quinoxaline?
The IUPAC name of 3-(2-methylphenyl)-2-(4-nitrophenyl)imidazo[4,5-b]quinoxaline (CID 1423712) is 3-(2-methylphenyl)-2-(4-nitrophenyl)imidazo[4,5-b]quinoxaline.
What is the SMILES notation for 3-(2-methylphenyl)-2-(4-nitrophenyl)imidazo[4,5-b]quinoxaline?
The canonical SMILES for 3-(2-methylphenyl)-2-(4-nitrophenyl)imidazo[4,5-b]quinoxaline is Cc1ccccc1-n1c(-c2ccc([N+](=O)[O-])cc2)nc2nc3ccccc3nc21.
What is the InChIKey of 3-(2-methylphenyl)-2-(4-nitrophenyl)imidazo[4,5-b]quinoxaline?
The InChIKey is JMDFKVNPPMDEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N5O2/c1-14-6-2-5-9-19(14)26-21(15-10-12-16(13-11-15)27(28)29)25-20-22(26)24-18-8-4-3-7-17(18)23-20/h2-13H,1H3.
What are the key properties of 3-(2-methylphenyl)-2-(4-nitrophenyl)imidazo[4,5-b]quinoxaline?
3-(2-methylphenyl)-2-(4-nitrophenyl)imidazo[4,5-b]quinoxaline has a molecular weight of 381.40 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-2-(4-nitrophenyl)imidazo[4,5-b]quinoxaline is sourced from PubChem (CID 1423712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).