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

C15H9N5O2 — CID 10356922

IUPAC3-(3-nitrophenyl)imidazo[4,5-b]quinoxaline
SMILESO=[N+]([O-])c1cccc(-n2cnc3nc4ccccc4nc32)c1
InChIInChI=1S/C15H9N5O2/c21-20(22)11-5-3-4-10(8-11)19-9-16-14-15(19)18-13-7-2-1-6-12(13)17-14/h1-9H
InChIKeyBGEWCMHVGRKXDV-UHFFFAOYSA-N
MW291.27 g/mol
LogP2.88
Rot. Bonds2

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

3-(3-nitrophenyl)imidazo[4,5-b]quinoxaline (PubChem CID 10356922) has the molecular formula C15H9N5O2 and a molecular weight of 291.27 g/mol. Its IUPAC name is 3-(3-nitrophenyl)imidazo[4,5-b]quinoxaline.

Molecular Properties

Compound Name3-(3-nitrophenyl)imidazo[4,5-b]quinoxaline
PubChem CID10356922
Molecular FormulaC15H9N5O2
Molecular Weight291.27 g/mol
Exact Mass291.08
IUPAC Name3-(3-nitrophenyl)imidazo[4,5-b]quinoxaline
SMILESO=[N+]([O-])c1cccc(-n2cnc3nc4ccccc4nc32)c1
InChIInChI=1S/C15H9N5O2/c21-20(22)11-5-3-4-10(8-11)19-9-16-14-15(19)18-13-7-2-1-6-12(13)17-14/h1-9H
InChIKeyBGEWCMHVGRKXDV-UHFFFAOYSA-N
XLogP2.88
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 52.88
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

6-chloro-7-(3-nitrophenyl)purine
CID 132588085
1-(3-nitrophenyl)-3-phenylimidazol-2-one
CID 102084905
2-methyl-1-(3-nitrophenyl)imidazole
CID 59199671
2,3-bis(3-nitrophenyl)quinoxaline
CID 71350595
4-methoxy-3-methyl-1-(3-nitrophenyl)pyrazolo[3,4-b]quinoline
CID 124925417
2,6-bis(3-nitrophenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 635208
6-nitro-2,9,11,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,12,14,16-octaene
CID 10967410
2-bromo-3-[1-(3-nitrophenyl)pyrazol-4-yl]quinoxaline
CID 175468193
2-[4-(3-nitrophenyl)piperazin-1-yl]-1,3-benzothiazole
CID 71891864
2-benzyl-4-(3-nitrophenyl)pyrido[2,3-b]pyrazin-3-one
CID 22724113
2-(3-nitrophenyl)-1,3-dihydroisoindole
CID 698272
5-methyl-2-(3-nitrophenyl)-1,2,4-triazol-3-amine
CID 62679220

Frequently Asked Questions

What is the IUPAC name of 3-(3-nitrophenyl)imidazo[4,5-b]quinoxaline?
The IUPAC name of 3-(3-nitrophenyl)imidazo[4,5-b]quinoxaline (CID 10356922) is 3-(3-nitrophenyl)imidazo[4,5-b]quinoxaline.
What is the SMILES notation for 3-(3-nitrophenyl)imidazo[4,5-b]quinoxaline?
The canonical SMILES for 3-(3-nitrophenyl)imidazo[4,5-b]quinoxaline is O=[N+]([O-])c1cccc(-n2cnc3nc4ccccc4nc32)c1.
What is the InChIKey of 3-(3-nitrophenyl)imidazo[4,5-b]quinoxaline?
The InChIKey is BGEWCMHVGRKXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N5O2/c21-20(22)11-5-3-4-10(8-11)19-9-16-14-15(19)18-13-7-2-1-6-12(13)17-14/h1-9H.
What are the key properties of 3-(3-nitrophenyl)imidazo[4,5-b]quinoxaline?
3-(3-nitrophenyl)imidazo[4,5-b]quinoxaline has a molecular weight of 291.27 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-nitrophenyl)imidazo[4,5-b]quinoxaline is sourced from PubChem (CID 10356922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).