4-chloro-3-(2-chloroethyl)-2-methyl-8-(trifluoromethyl)quinoline

C13H10Cl2F3N — CID 1481917

IUPAC4-chloro-3-(2-chloroethyl)-2-methyl-8-(trifluoromethyl)quinoline
SMILESCc1nc2c(C(F)(F)F)cccc2c(Cl)c1CCCl
InChIInChI=1S/C13H10Cl2F3N/c1-7-8(5-6-14)11(15)9-3-2-4-10(12(9)19-7)13(16,17)18/h2-4H,5-6H2,1H3
InChIKeyXWKOGGIQRLMMLV-UHFFFAOYSA-N
MW308.13 g/mol
LogP5.00
Rot. Bonds2

About 4-chloro-3-(2-chloroethyl)-2-methyl-8-(trifluoromethyl)quinoline

4-chloro-3-(2-chloroethyl)-2-methyl-8-(trifluoromethyl)quinoline (PubChem CID 1481917) has the molecular formula C13H10Cl2F3N and a molecular weight of 308.13 g/mol. Its IUPAC name is 4-chloro-3-(2-chloroethyl)-2-methyl-8-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name4-chloro-3-(2-chloroethyl)-2-methyl-8-(trifluoromethyl)quinoline
PubChem CID1481917
Molecular FormulaC13H10Cl2F3N
Molecular Weight308.13 g/mol
Exact Mass307.01
IUPAC Name4-chloro-3-(2-chloroethyl)-2-methyl-8-(trifluoromethyl)quinoline
SMILESCc1nc2c(C(F)(F)F)cccc2c(Cl)c1CCCl
InChIInChI=1S/C13H10Cl2F3N/c1-7-8(5-6-14)11(15)9-3-2-4-10(12(9)19-7)13(16,17)18/h2-4H,5-6H2,1H3
InChIKeyXWKOGGIQRLMMLV-UHFFFAOYSA-N
XLogP5.00
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.13
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-chloro-3-(2-chloroethyl)-2-methyl-8-(trifluoromethyl)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-3-(2-chloroethyl)-2-methyl-8-(trifluoromethyl)quinoline?
The IUPAC name of 4-chloro-3-(2-chloroethyl)-2-methyl-8-(trifluoromethyl)quinoline (CID 1481917) is 4-chloro-3-(2-chloroethyl)-2-methyl-8-(trifluoromethyl)quinoline.
What is the SMILES notation for 4-chloro-3-(2-chloroethyl)-2-methyl-8-(trifluoromethyl)quinoline?
The canonical SMILES for 4-chloro-3-(2-chloroethyl)-2-methyl-8-(trifluoromethyl)quinoline is Cc1nc2c(C(F)(F)F)cccc2c(Cl)c1CCCl.
What is the InChIKey of 4-chloro-3-(2-chloroethyl)-2-methyl-8-(trifluoromethyl)quinoline?
The InChIKey is XWKOGGIQRLMMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2F3N/c1-7-8(5-6-14)11(15)9-3-2-4-10(12(9)19-7)13(16,17)18/h2-4H,5-6H2,1H3.
What are the key properties of 4-chloro-3-(2-chloroethyl)-2-methyl-8-(trifluoromethyl)quinoline?
4-chloro-3-(2-chloroethyl)-2-methyl-8-(trifluoromethyl)quinoline has a molecular weight of 308.13 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(2-chloroethyl)-2-methyl-8-(trifluoromethyl)quinoline is sourced from PubChem (CID 1481917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).