2-(4-bromophenoxy)-3-[(Z)-2-(3-nitrophenyl)ethenyl]quinoxaline

C22H14BrN3O3 — CID 19590601

IUPAC2-(4-bromophenoxy)-3-[(Z)-2-(3-nitrophenyl)ethenyl]quinoxaline
SMILESO=[N+]([O-])c1cccc(/C=C\c2nc3ccccc3nc2Oc2ccc(Br)cc2)c1
InChIInChI=1S/C22H14BrN3O3/c23-16-9-11-18(12-10-16)29-22-21(24-19-6-1-2-7-20(19)25-22)13-8-15-4-3-5-17(14-15)26(27)28/h1-14H/b13-8-
InChIKeyUQJOWOWBSOWFNQ-JYRVWZFOSA-N
MW448.28 g/mol
LogP6.26
Rot. Bonds5

About 2-(4-bromophenoxy)-3-[(Z)-2-(3-nitrophenyl)ethenyl]quinoxaline

2-(4-bromophenoxy)-3-[(Z)-2-(3-nitrophenyl)ethenyl]quinoxaline (PubChem CID 19590601) has the molecular formula C22H14BrN3O3 and a molecular weight of 448.28 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-3-[(Z)-2-(3-nitrophenyl)ethenyl]quinoxaline.

Molecular Properties

Compound Name2-(4-bromophenoxy)-3-[(Z)-2-(3-nitrophenyl)ethenyl]quinoxaline
PubChem CID19590601
Molecular FormulaC22H14BrN3O3
Molecular Weight448.28 g/mol
Exact Mass447.02
IUPAC Name2-(4-bromophenoxy)-3-[(Z)-2-(3-nitrophenyl)ethenyl]quinoxaline
SMILESO=[N+]([O-])c1cccc(/C=C\c2nc3ccccc3nc2Oc2ccc(Br)cc2)c1
InChIInChI=1S/C22H14BrN3O3/c23-16-9-11-18(12-10-16)29-22-21(24-19-6-1-2-7-20(19)25-22)13-8-15-4-3-5-17(14-15)26(27)28/h1-14H/b13-8-
InChIKeyUQJOWOWBSOWFNQ-JYRVWZFOSA-N
XLogP6.26
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.28
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

2-methyl-3-[(E)-2-(3-nitrophenyl)ethenyl]quinoxaline
CID 5298402
2-[(E)-2-(3-nitrophenyl)ethenyl]-3-[[(2R)-oxiran-2-yl]methoxy]quinoxaline
CID 51643668
1-nitro-3-[2-(3-nitrophenyl)ethenyl]benzene
CID 622998
2-[2-(3-nitrophenyl)ethenyl]-1,3-benzothiazole
CID 3408121
4-[(E)-2-(3-nitrophenyl)ethenyl]-[1,2,4]triazolo[4,3-a]quinoxaline
CID 42599951
2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-[(E)-2-(3-nitrophenyl)ethenyl]quinoxaline
CID 53304207
2-[2-(3-nitrophenyl)ethenyl]-1H-benzimidazole;hydrochloride
CID 71966072
(Z)-2-(4-bromophenoxy)-3-(3-nitrophenyl)prop-2-enamide
CID 132591993
3-methyl-2-[(E)-2-(3-nitrophenyl)ethenyl]quinazolin-4-one
CID 5378684
5-nitro-4-[2-(3-nitrophenyl)ethenyl]-1H-imidazole
CID 135541183
3-[(Z)-2-(3-nitrophenyl)ethenyl]aniline
CID 92527304
4-[(E)-2-(3-nitrophenyl)ethenyl]cinnoline
CID 21118397

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-3-[(Z)-2-(3-nitrophenyl)ethenyl]quinoxaline?
The IUPAC name of 2-(4-bromophenoxy)-3-[(Z)-2-(3-nitrophenyl)ethenyl]quinoxaline (CID 19590601) is 2-(4-bromophenoxy)-3-[(Z)-2-(3-nitrophenyl)ethenyl]quinoxaline.
What is the SMILES notation for 2-(4-bromophenoxy)-3-[(Z)-2-(3-nitrophenyl)ethenyl]quinoxaline?
The canonical SMILES for 2-(4-bromophenoxy)-3-[(Z)-2-(3-nitrophenyl)ethenyl]quinoxaline is O=[N+]([O-])c1cccc(/C=C\c2nc3ccccc3nc2Oc2ccc(Br)cc2)c1.
What is the InChIKey of 2-(4-bromophenoxy)-3-[(Z)-2-(3-nitrophenyl)ethenyl]quinoxaline?
The InChIKey is UQJOWOWBSOWFNQ-JYRVWZFOSA-N. The full InChI is InChI=1S/C22H14BrN3O3/c23-16-9-11-18(12-10-16)29-22-21(24-19-6-1-2-7-20(19)25-22)13-8-15-4-3-5-17(14-15)26(27)28/h1-14H/b13-8-.
What are the key properties of 2-(4-bromophenoxy)-3-[(Z)-2-(3-nitrophenyl)ethenyl]quinoxaline?
2-(4-bromophenoxy)-3-[(Z)-2-(3-nitrophenyl)ethenyl]quinoxaline has a molecular weight of 448.28 g/mol, XLogP of 6.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-3-[(Z)-2-(3-nitrophenyl)ethenyl]quinoxaline is sourced from PubChem (CID 19590601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).