2-[(E)-2-(3-nitrophenyl)ethenyl]-3-[[(2R)-oxiran-2-yl]methoxy]quinoxaline

C19H15N3O4 — CID 51643668

IUPAC2-[(E)-2-(3-nitrophenyl)ethenyl]-3-[[(2R)-oxiran-2-yl]methoxy]quinoxaline
SMILESO=[N+]([O-])c1cccc(/C=C/c2nc3ccccc3nc2OC[C@H]2CO2)c1
InChIInChI=1S/C19H15N3O4/c23-22(24)14-5-3-4-13(10-14)8-9-18-19(26-12-15-11-25-15)21-17-7-2-1-6-16(17)20-18/h1-10,15H,11-12H2/b9-8+/t15-/m1/s1
InChIKeyAAWRZTSDESQMMQ-XVJNWHFHSA-N
MW349.35 g/mol
LogP3.49
Rot. Bonds6

About 2-[(E)-2-(3-nitrophenyl)ethenyl]-3-[[(2R)-oxiran-2-yl]methoxy]quinoxaline

2-[(E)-2-(3-nitrophenyl)ethenyl]-3-[[(2R)-oxiran-2-yl]methoxy]quinoxaline (PubChem CID 51643668) has the molecular formula C19H15N3O4 and a molecular weight of 349.35 g/mol. Its IUPAC name is 2-[(E)-2-(3-nitrophenyl)ethenyl]-3-[[(2R)-oxiran-2-yl]methoxy]quinoxaline.

Molecular Properties

Compound Name2-[(E)-2-(3-nitrophenyl)ethenyl]-3-[[(2R)-oxiran-2-yl]methoxy]quinoxaline
PubChem CID51643668
Molecular FormulaC19H15N3O4
Molecular Weight349.35 g/mol
Exact Mass349.11
IUPAC Name2-[(E)-2-(3-nitrophenyl)ethenyl]-3-[[(2R)-oxiran-2-yl]methoxy]quinoxaline
SMILESO=[N+]([O-])c1cccc(/C=C/c2nc3ccccc3nc2OC[C@H]2CO2)c1
InChIInChI=1S/C19H15N3O4/c23-22(24)14-5-3-4-13(10-14)8-9-18-19(26-12-15-11-25-15)21-17-7-2-1-6-16(17)20-18/h1-10,15H,11-12H2/b9-8+/t15-/m1/s1
InChIKeyAAWRZTSDESQMMQ-XVJNWHFHSA-N
XLogP3.49
TPSA90.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 53.49
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromophenoxy)-3-[(Z)-2-(3-nitrophenyl)ethenyl]quinoxaline
CID 19590601
2-methyl-3-[(E)-2-(3-nitrophenyl)ethenyl]quinoxaline
CID 5298402
1-nitro-3-[2-(3-nitrophenyl)ethenyl]benzene
CID 622998
2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-[(E)-2-(3-nitrophenyl)ethenyl]quinoxaline
CID 53304207
nitrobenzene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 88773027
4-nitro-2-(oxiran-2-ylmethoxy)benzaldehyde
CID 22135516
7-[(E)-2-(3-nitrophenyl)ethenyl]benzo[c]acridine
CID 6526686
12-[(E)-2-(3-nitrophenyl)ethenyl]benzo[a]acridine
CID 6526683
4-[(E)-2-(3-nitrophenyl)ethenyl]-[1,2,4]triazolo[4,3-a]quinoxaline
CID 42599951
2-[2-(3-nitrophenyl)ethenyl]-1,3-benzothiazole
CID 3408121
3-ethyl-2-[2-(3-nitrophenyl)ethenyl]quinazolin-4-one
CID 629407
3-[(Z)-2-(3-nitrophenyl)ethenyl]aniline
CID 92527304

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(3-nitrophenyl)ethenyl]-3-[[(2R)-oxiran-2-yl]methoxy]quinoxaline?
The IUPAC name of 2-[(E)-2-(3-nitrophenyl)ethenyl]-3-[[(2R)-oxiran-2-yl]methoxy]quinoxaline (CID 51643668) is 2-[(E)-2-(3-nitrophenyl)ethenyl]-3-[[(2R)-oxiran-2-yl]methoxy]quinoxaline.
What is the SMILES notation for 2-[(E)-2-(3-nitrophenyl)ethenyl]-3-[[(2R)-oxiran-2-yl]methoxy]quinoxaline?
The canonical SMILES for 2-[(E)-2-(3-nitrophenyl)ethenyl]-3-[[(2R)-oxiran-2-yl]methoxy]quinoxaline is O=[N+]([O-])c1cccc(/C=C/c2nc3ccccc3nc2OC[C@H]2CO2)c1.
What is the InChIKey of 2-[(E)-2-(3-nitrophenyl)ethenyl]-3-[[(2R)-oxiran-2-yl]methoxy]quinoxaline?
The InChIKey is AAWRZTSDESQMMQ-XVJNWHFHSA-N. The full InChI is InChI=1S/C19H15N3O4/c23-22(24)14-5-3-4-13(10-14)8-9-18-19(26-12-15-11-25-15)21-17-7-2-1-6-16(17)20-18/h1-10,15H,11-12H2/b9-8+/t15-/m1/s1.
What are the key properties of 2-[(E)-2-(3-nitrophenyl)ethenyl]-3-[[(2R)-oxiran-2-yl]methoxy]quinoxaline?
2-[(E)-2-(3-nitrophenyl)ethenyl]-3-[[(2R)-oxiran-2-yl]methoxy]quinoxaline has a molecular weight of 349.35 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(3-nitrophenyl)ethenyl]-3-[[(2R)-oxiran-2-yl]methoxy]quinoxaline is sourced from PubChem (CID 51643668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).