1-(2-nitrophenyl)-2H-quinoline

C15H12N2O2 — CID 141383670

IUPAC1-(2-nitrophenyl)-2H-quinoline
SMILESO=[N+]([O-])c1ccccc1N1CC=Cc2ccccc21
InChIInChI=1S/C15H12N2O2/c18-17(19)15-10-4-3-9-14(15)16-11-5-7-12-6-1-2-8-13(12)16/h1-10H,11H2
InChIKeyZOMLTQHXRHGOOI-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.76
Rot. Bonds2

About 1-(2-nitrophenyl)-2H-quinoline

1-(2-nitrophenyl)-2H-quinoline (PubChem CID 141383670) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 1-(2-nitrophenyl)-2H-quinoline.

Molecular Properties

Compound Name1-(2-nitrophenyl)-2H-quinoline
PubChem CID141383670
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name1-(2-nitrophenyl)-2H-quinoline
SMILESO=[N+]([O-])c1ccccc1N1CC=Cc2ccccc21
InChIInChI=1S/C15H12N2O2/c18-17(19)15-10-4-3-9-14(15)16-11-5-7-12-6-1-2-8-13(12)16/h1-10H,11H2
InChIKeyZOMLTQHXRHGOOI-UHFFFAOYSA-N
XLogP3.76
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.76
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'}

Analyze 1-(2-nitrophenyl)-2H-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 1-(2-nitrophenyl)-2H-quinoline?
The IUPAC name of 1-(2-nitrophenyl)-2H-quinoline (CID 141383670) is 1-(2-nitrophenyl)-2H-quinoline.
What is the SMILES notation for 1-(2-nitrophenyl)-2H-quinoline?
The canonical SMILES for 1-(2-nitrophenyl)-2H-quinoline is O=[N+]([O-])c1ccccc1N1CC=Cc2ccccc21.
What is the InChIKey of 1-(2-nitrophenyl)-2H-quinoline?
The InChIKey is ZOMLTQHXRHGOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c18-17(19)15-10-4-3-9-14(15)16-11-5-7-12-6-1-2-8-13(12)16/h1-10H,11H2.
What are the key properties of 1-(2-nitrophenyl)-2H-quinoline?
1-(2-nitrophenyl)-2H-quinoline has a molecular weight of 252.27 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-nitrophenyl)-2H-quinoline is sourced from PubChem (CID 141383670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).