2-[(E)-2-(5-nitrothiophen-2-yl)ethenyl]quinoline

C15H10N2O2S — CID 6178517

IUPAC2-[(E)-2-(5-nitrothiophen-2-yl)ethenyl]quinoline
SMILESO=[N+]([O-])c1ccc(/C=C/c2ccc3ccccc3n2)s1
InChIInChI=1S/C15H10N2O2S/c18-17(19)15-10-9-13(20-15)8-7-12-6-5-11-3-1-2-4-14(11)16-12/h1-10H/b8-7+
InChIKeyRNVKMGQEVCBOSL-BQYQJAHWSA-N
MW282.32 g/mol
LogP4.37
Rot. Bonds3

About 2-[(E)-2-(5-nitrothiophen-2-yl)ethenyl]quinoline

2-[(E)-2-(5-nitrothiophen-2-yl)ethenyl]quinoline (PubChem CID 6178517) has the molecular formula C15H10N2O2S and a molecular weight of 282.32 g/mol. Its IUPAC name is 2-[(E)-2-(5-nitrothiophen-2-yl)ethenyl]quinoline.

Molecular Properties

Compound Name2-[(E)-2-(5-nitrothiophen-2-yl)ethenyl]quinoline
PubChem CID6178517
Molecular FormulaC15H10N2O2S
Molecular Weight282.32 g/mol
Exact Mass282.05
IUPAC Name2-[(E)-2-(5-nitrothiophen-2-yl)ethenyl]quinoline
SMILESO=[N+]([O-])c1ccc(/C=C/c2ccc3ccccc3n2)s1
InChIInChI=1S/C15H10N2O2S/c18-17(19)15-10-9-13(20-15)8-7-12-6-5-11-3-1-2-4-14(11)16-12/h1-10H/b8-7+
InChIKeyRNVKMGQEVCBOSL-BQYQJAHWSA-N
XLogP4.37
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 54.37
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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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(5-nitrothiophen-2-yl)ethenyl]quinoline?
The IUPAC name of 2-[(E)-2-(5-nitrothiophen-2-yl)ethenyl]quinoline (CID 6178517) is 2-[(E)-2-(5-nitrothiophen-2-yl)ethenyl]quinoline.
What is the SMILES notation for 2-[(E)-2-(5-nitrothiophen-2-yl)ethenyl]quinoline?
The canonical SMILES for 2-[(E)-2-(5-nitrothiophen-2-yl)ethenyl]quinoline is O=[N+]([O-])c1ccc(/C=C/c2ccc3ccccc3n2)s1.
What is the InChIKey of 2-[(E)-2-(5-nitrothiophen-2-yl)ethenyl]quinoline?
The InChIKey is RNVKMGQEVCBOSL-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H10N2O2S/c18-17(19)15-10-9-13(20-15)8-7-12-6-5-11-3-1-2-4-14(11)16-12/h1-10H/b8-7+.
What are the key properties of 2-[(E)-2-(5-nitrothiophen-2-yl)ethenyl]quinoline?
2-[(E)-2-(5-nitrothiophen-2-yl)ethenyl]quinoline has a molecular weight of 282.32 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(5-nitrothiophen-2-yl)ethenyl]quinoline is sourced from PubChem (CID 6178517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).