4-chloro-2-(difluoromethyl)-6-ethylquinoline

C12H10ClF2N — CID 62892996

IUPAC4-chloro-2-(difluoromethyl)-6-ethylquinoline
SMILESCCc1ccc2nc(C(F)F)cc(Cl)c2c1
InChIInChI=1S/C12H10ClF2N/c1-2-7-3-4-10-8(5-7)9(13)6-11(16-10)12(14)15/h3-6,12H,2H2,1H3
InChIKeyINXHDIDKRILUBV-UHFFFAOYSA-N
MW241.67 g/mol
LogP4.39
Rot. Bonds2

About 4-chloro-2-(difluoromethyl)-6-ethylquinoline

4-chloro-2-(difluoromethyl)-6-ethylquinoline (PubChem CID 62892996) has the molecular formula C12H10ClF2N and a molecular weight of 241.67 g/mol. Its IUPAC name is 4-chloro-2-(difluoromethyl)-6-ethylquinoline.

Molecular Properties

Compound Name4-chloro-2-(difluoromethyl)-6-ethylquinoline
PubChem CID62892996
Molecular FormulaC12H10ClF2N
Molecular Weight241.67 g/mol
Exact Mass241.05
IUPAC Name4-chloro-2-(difluoromethyl)-6-ethylquinoline
SMILESCCc1ccc2nc(C(F)F)cc(Cl)c2c1
InChIInChI=1S/C12H10ClF2N/c1-2-7-3-4-10-8(5-7)9(13)6-11(16-10)12(14)15/h3-6,12H,2H2,1H3
InChIKeyINXHDIDKRILUBV-UHFFFAOYSA-N
XLogP4.39
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.67
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-chloro-2-(difluoromethyl)-6-ethylquinoline 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-(difluoromethyl)-6-ethylquinoline?
The IUPAC name of 4-chloro-2-(difluoromethyl)-6-ethylquinoline (CID 62892996) is 4-chloro-2-(difluoromethyl)-6-ethylquinoline.
What is the SMILES notation for 4-chloro-2-(difluoromethyl)-6-ethylquinoline?
The canonical SMILES for 4-chloro-2-(difluoromethyl)-6-ethylquinoline is CCc1ccc2nc(C(F)F)cc(Cl)c2c1.
What is the InChIKey of 4-chloro-2-(difluoromethyl)-6-ethylquinoline?
The InChIKey is INXHDIDKRILUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF2N/c1-2-7-3-4-10-8(5-7)9(13)6-11(16-10)12(14)15/h3-6,12H,2H2,1H3.
What are the key properties of 4-chloro-2-(difluoromethyl)-6-ethylquinoline?
4-chloro-2-(difluoromethyl)-6-ethylquinoline has a molecular weight of 241.67 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(difluoromethyl)-6-ethylquinoline is sourced from PubChem (CID 62892996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).