4-chloro-2-[(E)-2-(2,4-dinitrophenyl)ethenyl]quinoline

C17H10ClN3O4 — CID 155544734

IUPAC4-chloro-2-[(E)-2-(2,4-dinitrophenyl)ethenyl]quinoline
SMILESO=[N+]([O-])c1ccc(/C=C/c2cc(Cl)c3ccccc3n2)c([N+](=O)[O-])c1
InChIInChI=1S/C17H10ClN3O4/c18-15-9-12(19-16-4-2-1-3-14(15)16)7-5-11-6-8-13(20(22)23)10-17(11)21(24)25/h1-10H/b7-5+
InChIKeyRJORSRJKLFNOCH-FNORWQNLSA-N
MW355.74 g/mol
LogP4.88
Rot. Bonds4

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

4-chloro-2-[(E)-2-(2,4-dinitrophenyl)ethenyl]quinoline (PubChem CID 155544734) has the molecular formula C17H10ClN3O4 and a molecular weight of 355.74 g/mol. Its IUPAC name is 4-chloro-2-[(E)-2-(2,4-dinitrophenyl)ethenyl]quinoline.

Molecular Properties

Compound Name4-chloro-2-[(E)-2-(2,4-dinitrophenyl)ethenyl]quinoline
PubChem CID155544734
Molecular FormulaC17H10ClN3O4
Molecular Weight355.74 g/mol
Exact Mass355.04
IUPAC Name4-chloro-2-[(E)-2-(2,4-dinitrophenyl)ethenyl]quinoline
SMILESO=[N+]([O-])c1ccc(/C=C/c2cc(Cl)c3ccccc3n2)c([N+](=O)[O-])c1
InChIInChI=1S/C17H10ClN3O4/c18-15-9-12(19-16-4-2-1-3-14(15)16)7-5-11-6-8-13(20(22)23)10-17(11)21(24)25/h1-10H/b7-5+
InChIKeyRJORSRJKLFNOCH-FNORWQNLSA-N
XLogP4.88
TPSA99.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.74
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-chloro-2-[(E)-2-(2,4-dinitrophenyl)ethenyl]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(E)-2-(2,4-dinitrophenyl)ethenyl]quinoline?
The IUPAC name of 4-chloro-2-[(E)-2-(2,4-dinitrophenyl)ethenyl]quinoline (CID 155544734) is 4-chloro-2-[(E)-2-(2,4-dinitrophenyl)ethenyl]quinoline.
What is the SMILES notation for 4-chloro-2-[(E)-2-(2,4-dinitrophenyl)ethenyl]quinoline?
The canonical SMILES for 4-chloro-2-[(E)-2-(2,4-dinitrophenyl)ethenyl]quinoline is O=[N+]([O-])c1ccc(/C=C/c2cc(Cl)c3ccccc3n2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-chloro-2-[(E)-2-(2,4-dinitrophenyl)ethenyl]quinoline?
The InChIKey is RJORSRJKLFNOCH-FNORWQNLSA-N. The full InChI is InChI=1S/C17H10ClN3O4/c18-15-9-12(19-16-4-2-1-3-14(15)16)7-5-11-6-8-13(20(22)23)10-17(11)21(24)25/h1-10H/b7-5+.
What are the key properties of 4-chloro-2-[(E)-2-(2,4-dinitrophenyl)ethenyl]quinoline?
4-chloro-2-[(E)-2-(2,4-dinitrophenyl)ethenyl]quinoline has a molecular weight of 355.74 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(E)-2-(2,4-dinitrophenyl)ethenyl]quinoline is sourced from PubChem (CID 155544734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).