2-(2-chloroethenyl)-4-nitroquinolin-3-amine

C11H8ClN3O2 — CID 54340774

IUPAC2-(2-chloroethenyl)-4-nitroquinolin-3-amine
SMILESNc1c(C=CCl)nc2ccccc2c1[N+](=O)[O-]
InChIInChI=1S/C11H8ClN3O2/c12-6-5-9-10(13)11(15(16)17)7-3-1-2-4-8(7)14-9/h1-6H,13H2
InChIKeyTYUFVKARMAZBMU-UHFFFAOYSA-N
MW249.66 g/mol
LogP2.93
Rot. Bonds2

About 2-(2-chloroethenyl)-4-nitroquinolin-3-amine

2-(2-chloroethenyl)-4-nitroquinolin-3-amine (PubChem CID 54340774) has the molecular formula C11H8ClN3O2 and a molecular weight of 249.66 g/mol. Its IUPAC name is 2-(2-chloroethenyl)-4-nitroquinolin-3-amine.

Molecular Properties

Compound Name2-(2-chloroethenyl)-4-nitroquinolin-3-amine
PubChem CID54340774
Molecular FormulaC11H8ClN3O2
Molecular Weight249.66 g/mol
Exact Mass249.03
IUPAC Name2-(2-chloroethenyl)-4-nitroquinolin-3-amine
SMILESNc1c(C=CCl)nc2ccccc2c1[N+](=O)[O-]
InChIInChI=1S/C11H8ClN3O2/c12-6-5-9-10(13)11(15(16)17)7-3-1-2-4-8(7)14-9/h1-6H,13H2
InChIKeyTYUFVKARMAZBMU-UHFFFAOYSA-N
XLogP2.93
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.66
LogP ≤ 52.93
H-Bond Donors ≤ 51
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'}

Analyze 2-(2-chloroethenyl)-4-nitroquinolin-3-amine 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 2-(2-chloroethenyl)-4-nitroquinolin-3-amine?
The IUPAC name of 2-(2-chloroethenyl)-4-nitroquinolin-3-amine (CID 54340774) is 2-(2-chloroethenyl)-4-nitroquinolin-3-amine.
What is the SMILES notation for 2-(2-chloroethenyl)-4-nitroquinolin-3-amine?
The canonical SMILES for 2-(2-chloroethenyl)-4-nitroquinolin-3-amine is Nc1c(C=CCl)nc2ccccc2c1[N+](=O)[O-].
What is the InChIKey of 2-(2-chloroethenyl)-4-nitroquinolin-3-amine?
The InChIKey is TYUFVKARMAZBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O2/c12-6-5-9-10(13)11(15(16)17)7-3-1-2-4-8(7)14-9/h1-6H,13H2.
What are the key properties of 2-(2-chloroethenyl)-4-nitroquinolin-3-amine?
2-(2-chloroethenyl)-4-nitroquinolin-3-amine has a molecular weight of 249.66 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethenyl)-4-nitroquinolin-3-amine is sourced from PubChem (CID 54340774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).