4-chloro-2-[(E)-2-(2-nitrophenyl)ethenyl]quinoline

C17H11ClN2O2 — CID 155541880

IUPAC4-chloro-2-[(E)-2-(2-nitrophenyl)ethenyl]quinoline
SMILESO=[N+]([O-])c1ccccc1/C=C/c1cc(Cl)c2ccccc2n1
InChIInChI=1S/C17H11ClN2O2/c18-15-11-13(19-16-7-3-2-6-14(15)16)10-9-12-5-1-4-8-17(12)20(21)22/h1-11H/b10-9+
InChIKeyKFMBYQWSRGVFQB-MDZDMXLPSA-N
MW310.74 g/mol
LogP4.97
Rot. Bonds3

About 4-chloro-2-[(E)-2-(2-nitrophenyl)ethenyl]quinoline

4-chloro-2-[(E)-2-(2-nitrophenyl)ethenyl]quinoline (PubChem CID 155541880) has the molecular formula C17H11ClN2O2 and a molecular weight of 310.74 g/mol. Its IUPAC name is 4-chloro-2-[(E)-2-(2-nitrophenyl)ethenyl]quinoline.

Molecular Properties

Compound Name4-chloro-2-[(E)-2-(2-nitrophenyl)ethenyl]quinoline
PubChem CID155541880
Molecular FormulaC17H11ClN2O2
Molecular Weight310.74 g/mol
Exact Mass310.05
IUPAC Name4-chloro-2-[(E)-2-(2-nitrophenyl)ethenyl]quinoline
SMILESO=[N+]([O-])c1ccccc1/C=C/c1cc(Cl)c2ccccc2n1
InChIInChI=1S/C17H11ClN2O2/c18-15-11-13(19-16-7-3-2-6-14(15)16)10-9-12-5-1-4-8-17(12)20(21)22/h1-11H/b10-9+
InChIKeyKFMBYQWSRGVFQB-MDZDMXLPSA-N
XLogP4.97
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.74
LogP ≤ 54.97
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 4-chloro-2-[(E)-2-(2-nitrophenyl)ethenyl]quinoline?
The IUPAC name of 4-chloro-2-[(E)-2-(2-nitrophenyl)ethenyl]quinoline (CID 155541880) is 4-chloro-2-[(E)-2-(2-nitrophenyl)ethenyl]quinoline.
What is the SMILES notation for 4-chloro-2-[(E)-2-(2-nitrophenyl)ethenyl]quinoline?
The canonical SMILES for 4-chloro-2-[(E)-2-(2-nitrophenyl)ethenyl]quinoline is O=[N+]([O-])c1ccccc1/C=C/c1cc(Cl)c2ccccc2n1.
What is the InChIKey of 4-chloro-2-[(E)-2-(2-nitrophenyl)ethenyl]quinoline?
The InChIKey is KFMBYQWSRGVFQB-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H11ClN2O2/c18-15-11-13(19-16-7-3-2-6-14(15)16)10-9-12-5-1-4-8-17(12)20(21)22/h1-11H/b10-9+.
What are the key properties of 4-chloro-2-[(E)-2-(2-nitrophenyl)ethenyl]quinoline?
4-chloro-2-[(E)-2-(2-nitrophenyl)ethenyl]quinoline has a molecular weight of 310.74 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(E)-2-(2-nitrophenyl)ethenyl]quinoline is sourced from PubChem (CID 155541880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).