2-[(E)-2-(3-nitrophenyl)ethenyl]quinoline

C17H12N2O2 — CID 5376617

IUPAC2-[(E)-2-(3-nitrophenyl)ethenyl]quinoline
SMILESO=[N+]([O-])c1cccc(/C=C/c2ccc3ccccc3n2)c1
InChIInChI=1S/C17H12N2O2/c20-19(21)16-6-3-4-13(12-16)8-10-15-11-9-14-5-1-2-7-17(14)18-15/h1-12H/b10-8+
InChIKeyURIXDBULDXTIHZ-CSKARUKUSA-N
MW276.30 g/mol
LogP4.31
Rot. Bonds3

About 2-[(E)-2-(3-nitrophenyl)ethenyl]quinoline

2-[(E)-2-(3-nitrophenyl)ethenyl]quinoline (PubChem CID 5376617) has the molecular formula C17H12N2O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-[(E)-2-(3-nitrophenyl)ethenyl]quinoline.

Molecular Properties

Compound Name2-[(E)-2-(3-nitrophenyl)ethenyl]quinoline
PubChem CID5376617
Molecular FormulaC17H12N2O2
Molecular Weight276.30 g/mol
Exact Mass276.09
IUPAC Name2-[(E)-2-(3-nitrophenyl)ethenyl]quinoline
SMILESO=[N+]([O-])c1cccc(/C=C/c2ccc3ccccc3n2)c1
InChIInChI=1S/C17H12N2O2/c20-19(21)16-6-3-4-13(12-16)8-10-15-11-9-14-5-1-2-7-17(14)18-15/h1-12H/b10-8+
InChIKeyURIXDBULDXTIHZ-CSKARUKUSA-N
XLogP4.31
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(3-nitrophenyl)ethenyl]quinoline?
The IUPAC name of 2-[(E)-2-(3-nitrophenyl)ethenyl]quinoline (CID 5376617) is 2-[(E)-2-(3-nitrophenyl)ethenyl]quinoline.
What is the SMILES notation for 2-[(E)-2-(3-nitrophenyl)ethenyl]quinoline?
The canonical SMILES for 2-[(E)-2-(3-nitrophenyl)ethenyl]quinoline is O=[N+]([O-])c1cccc(/C=C/c2ccc3ccccc3n2)c1.
What is the InChIKey of 2-[(E)-2-(3-nitrophenyl)ethenyl]quinoline?
The InChIKey is URIXDBULDXTIHZ-CSKARUKUSA-N. The full InChI is InChI=1S/C17H12N2O2/c20-19(21)16-6-3-4-13(12-16)8-10-15-11-9-14-5-1-2-7-17(14)18-15/h1-12H/b10-8+.
What are the key properties of 2-[(E)-2-(3-nitrophenyl)ethenyl]quinoline?
2-[(E)-2-(3-nitrophenyl)ethenyl]quinoline has a molecular weight of 276.30 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(3-nitrophenyl)ethenyl]quinoline is sourced from PubChem (CID 5376617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).