7-chloro-4-(trichloromethyl)pyrrolo[1,2-a]quinoxaline

C12H6Cl4N2 — CID 90681125

IUPAC7-chloro-4-(trichloromethyl)pyrrolo[1,2-a]quinoxaline
SMILESClc1ccc2c(c1)nc(C(Cl)(Cl)Cl)c1cccn12
InChIInChI=1S/C12H6Cl4N2/c13-7-3-4-9-8(6-7)17-11(12(14,15)16)10-2-1-5-18(9)10/h1-6H
InChIKeyLVHHHNAXQQDNHZ-UHFFFAOYSA-N
MW320.01 g/mol
LogP4.97
Rot. Bonds

About 7-chloro-4-(trichloromethyl)pyrrolo[1,2-a]quinoxaline

7-chloro-4-(trichloromethyl)pyrrolo[1,2-a]quinoxaline (PubChem CID 90681125) has the molecular formula C12H6Cl4N2 and a molecular weight of 320.01 g/mol. Its IUPAC name is 7-chloro-4-(trichloromethyl)pyrrolo[1,2-a]quinoxaline.

Molecular Properties

Compound Name7-chloro-4-(trichloromethyl)pyrrolo[1,2-a]quinoxaline
PubChem CID90681125
Molecular FormulaC12H6Cl4N2
Molecular Weight320.01 g/mol
Exact Mass317.93
IUPAC Name7-chloro-4-(trichloromethyl)pyrrolo[1,2-a]quinoxaline
SMILESClc1ccc2c(c1)nc(C(Cl)(Cl)Cl)c1cccn12
InChIInChI=1S/C12H6Cl4N2/c13-7-3-4-9-8(6-7)17-11(12(14,15)16)10-2-1-5-18(9)10/h1-6H
InChIKeyLVHHHNAXQQDNHZ-UHFFFAOYSA-N
XLogP4.97
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.01
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 7-chloro-4-(trichloromethyl)pyrrolo[1,2-a]quinoxaline 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 7-chloro-4-(trichloromethyl)pyrrolo[1,2-a]quinoxaline?
The IUPAC name of 7-chloro-4-(trichloromethyl)pyrrolo[1,2-a]quinoxaline (CID 90681125) is 7-chloro-4-(trichloromethyl)pyrrolo[1,2-a]quinoxaline.
What is the SMILES notation for 7-chloro-4-(trichloromethyl)pyrrolo[1,2-a]quinoxaline?
The canonical SMILES for 7-chloro-4-(trichloromethyl)pyrrolo[1,2-a]quinoxaline is Clc1ccc2c(c1)nc(C(Cl)(Cl)Cl)c1cccn12.
What is the InChIKey of 7-chloro-4-(trichloromethyl)pyrrolo[1,2-a]quinoxaline?
The InChIKey is LVHHHNAXQQDNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl4N2/c13-7-3-4-9-8(6-7)17-11(12(14,15)16)10-2-1-5-18(9)10/h1-6H.
What are the key properties of 7-chloro-4-(trichloromethyl)pyrrolo[1,2-a]quinoxaline?
7-chloro-4-(trichloromethyl)pyrrolo[1,2-a]quinoxaline has a molecular weight of 320.01 g/mol, XLogP of 4.97, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-(trichloromethyl)pyrrolo[1,2-a]quinoxaline is sourced from PubChem (CID 90681125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).