2-methyl-3-[(E)-2-(3-nitrophenyl)ethenyl]quinoxaline

C17H13N3O2 — CID 5298402

IUPAC2-methyl-3-[(E)-2-(3-nitrophenyl)ethenyl]quinoxaline
SMILESCc1nc2ccccc2nc1/C=C/c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H13N3O2/c1-12-15(19-17-8-3-2-7-16(17)18-12)10-9-13-5-4-6-14(11-13)20(21)22/h2-11H,1H3/b10-9+
InChIKeyDIOHPLZJCYMZCF-MDZDMXLPSA-N
MW291.31 g/mol
LogP4.02
Rot. Bonds3

About 2-methyl-3-[(E)-2-(3-nitrophenyl)ethenyl]quinoxaline

2-methyl-3-[(E)-2-(3-nitrophenyl)ethenyl]quinoxaline (PubChem CID 5298402) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-methyl-3-[(E)-2-(3-nitrophenyl)ethenyl]quinoxaline.

Molecular Properties

Compound Name2-methyl-3-[(E)-2-(3-nitrophenyl)ethenyl]quinoxaline
PubChem CID5298402
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Name2-methyl-3-[(E)-2-(3-nitrophenyl)ethenyl]quinoxaline
SMILESCc1nc2ccccc2nc1/C=C/c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H13N3O2/c1-12-15(19-17-8-3-2-7-16(17)18-12)10-9-13-5-4-6-14(11-13)20(21)22/h2-11H,1H3/b10-9+
InChIKeyDIOHPLZJCYMZCF-MDZDMXLPSA-N
XLogP4.02
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-nitro-3-[2-(3-nitrophenyl)ethenyl]benzene
CID 622998
2-(4-bromophenoxy)-3-[(Z)-2-(3-nitrophenyl)ethenyl]quinoxaline
CID 19590601
1-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]-3-nitrobenzene
CID 23386675
2-[(E)-2-(3-nitrophenyl)ethenyl]-3-[[(2R)-oxiran-2-yl]methoxy]quinoxaline
CID 51643668
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
2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-[(E)-2-(3-nitrophenyl)ethenyl]quinoxaline
CID 53304207
3-methyl-2-[(E)-2-(3-nitrophenyl)ethenyl]quinazolin-4-one
CID 5378684
1-methyl-4-[(E)-2-(3-nitrophenyl)ethenyl]naphthalene
CID 100934830
2-[2-(3-nitrophenyl)ethenyl]-1H-benzimidazole;hydrochloride
CID 71966072
3-ethyl-2-[2-(3-nitrophenyl)ethenyl]quinazolin-4-one
CID 629407
5-nitro-4-[2-(3-nitrophenyl)ethenyl]-1H-imidazole
CID 135541183

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(E)-2-(3-nitrophenyl)ethenyl]quinoxaline?
The IUPAC name of 2-methyl-3-[(E)-2-(3-nitrophenyl)ethenyl]quinoxaline (CID 5298402) is 2-methyl-3-[(E)-2-(3-nitrophenyl)ethenyl]quinoxaline.
What is the SMILES notation for 2-methyl-3-[(E)-2-(3-nitrophenyl)ethenyl]quinoxaline?
The canonical SMILES for 2-methyl-3-[(E)-2-(3-nitrophenyl)ethenyl]quinoxaline is Cc1nc2ccccc2nc1/C=C/c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-methyl-3-[(E)-2-(3-nitrophenyl)ethenyl]quinoxaline?
The InChIKey is DIOHPLZJCYMZCF-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H13N3O2/c1-12-15(19-17-8-3-2-7-16(17)18-12)10-9-13-5-4-6-14(11-13)20(21)22/h2-11H,1H3/b10-9+.
What are the key properties of 2-methyl-3-[(E)-2-(3-nitrophenyl)ethenyl]quinoxaline?
2-methyl-3-[(E)-2-(3-nitrophenyl)ethenyl]quinoxaline has a molecular weight of 291.31 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(E)-2-(3-nitrophenyl)ethenyl]quinoxaline is sourced from PubChem (CID 5298402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).