5-chloro-4-methoxy-6-methyl-2-(trifluoromethyl)quinoline

C12H9ClF3NO — CID 2773798

IUPAC5-chloro-4-methoxy-6-methyl-2-(trifluoromethyl)quinoline
SMILESCOc1cc(C(F)(F)F)nc2ccc(C)c(Cl)c12
InChIInChI=1S/C12H9ClF3NO/c1-6-3-4-7-10(11(6)13)8(18-2)5-9(17-7)12(14,15)16/h3-5H,1-2H3
InChIKeyYWNBUMKBFZRYDW-UHFFFAOYSA-N
MW275.66 g/mol
LogP4.22
Rot. Bonds1

About 5-chloro-4-methoxy-6-methyl-2-(trifluoromethyl)quinoline

5-chloro-4-methoxy-6-methyl-2-(trifluoromethyl)quinoline (PubChem CID 2773798) has the molecular formula C12H9ClF3NO and a molecular weight of 275.66 g/mol. Its IUPAC name is 5-chloro-4-methoxy-6-methyl-2-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name5-chloro-4-methoxy-6-methyl-2-(trifluoromethyl)quinoline
PubChem CID2773798
Molecular FormulaC12H9ClF3NO
Molecular Weight275.66 g/mol
Exact Mass275.03
IUPAC Name5-chloro-4-methoxy-6-methyl-2-(trifluoromethyl)quinoline
SMILESCOc1cc(C(F)(F)F)nc2ccc(C)c(Cl)c12
InChIInChI=1S/C12H9ClF3NO/c1-6-3-4-7-10(11(6)13)8(18-2)5-9(17-7)12(14,15)16/h3-5H,1-2H3
InChIKeyYWNBUMKBFZRYDW-UHFFFAOYSA-N
XLogP4.22
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.66
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-chloro-4-methoxy-6-methyl-2-(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 5-chloro-4-methoxy-6-methyl-2-(trifluoromethyl)quinoline?
The IUPAC name of 5-chloro-4-methoxy-6-methyl-2-(trifluoromethyl)quinoline (CID 2773798) is 5-chloro-4-methoxy-6-methyl-2-(trifluoromethyl)quinoline.
What is the SMILES notation for 5-chloro-4-methoxy-6-methyl-2-(trifluoromethyl)quinoline?
The canonical SMILES for 5-chloro-4-methoxy-6-methyl-2-(trifluoromethyl)quinoline is COc1cc(C(F)(F)F)nc2ccc(C)c(Cl)c12.
What is the InChIKey of 5-chloro-4-methoxy-6-methyl-2-(trifluoromethyl)quinoline?
The InChIKey is YWNBUMKBFZRYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF3NO/c1-6-3-4-7-10(11(6)13)8(18-2)5-9(17-7)12(14,15)16/h3-5H,1-2H3.
What are the key properties of 5-chloro-4-methoxy-6-methyl-2-(trifluoromethyl)quinoline?
5-chloro-4-methoxy-6-methyl-2-(trifluoromethyl)quinoline has a molecular weight of 275.66 g/mol, XLogP of 4.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-methoxy-6-methyl-2-(trifluoromethyl)quinoline is sourced from PubChem (CID 2773798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).