4-chloro-6-methoxy-3-methyl-7-(trifluoromethyl)quinoline

C12H9ClF3NO — CID 171373255

IUPAC4-chloro-6-methoxy-3-methyl-7-(trifluoromethyl)quinoline
SMILESCOc1cc2c(Cl)c(C)cnc2cc1C(F)(F)F
InChIInChI=1S/C12H9ClF3NO/c1-6-5-17-9-4-8(12(14,15)16)10(18-2)3-7(9)11(6)13/h3-5H,1-2H3
InChIKeyZYTPTPUKKZEOPH-UHFFFAOYSA-N
MW275.66 g/mol
LogP4.22
Rot. Bonds1

About 4-chloro-6-methoxy-3-methyl-7-(trifluoromethyl)quinoline

4-chloro-6-methoxy-3-methyl-7-(trifluoromethyl)quinoline (PubChem CID 171373255) has the molecular formula C12H9ClF3NO and a molecular weight of 275.66 g/mol. Its IUPAC name is 4-chloro-6-methoxy-3-methyl-7-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name4-chloro-6-methoxy-3-methyl-7-(trifluoromethyl)quinoline
PubChem CID171373255
Molecular FormulaC12H9ClF3NO
Molecular Weight275.66 g/mol
Exact Mass275.03
IUPAC Name4-chloro-6-methoxy-3-methyl-7-(trifluoromethyl)quinoline
SMILESCOc1cc2c(Cl)c(C)cnc2cc1C(F)(F)F
InChIInChI=1S/C12H9ClF3NO/c1-6-5-17-9-4-8(12(14,15)16)10(18-2)3-7(9)11(6)13/h3-5H,1-2H3
InChIKeyZYTPTPUKKZEOPH-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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methoxy-3-methyl-7-(trifluoromethyl)quinoline?
The IUPAC name of 4-chloro-6-methoxy-3-methyl-7-(trifluoromethyl)quinoline (CID 171373255) is 4-chloro-6-methoxy-3-methyl-7-(trifluoromethyl)quinoline.
What is the SMILES notation for 4-chloro-6-methoxy-3-methyl-7-(trifluoromethyl)quinoline?
The canonical SMILES for 4-chloro-6-methoxy-3-methyl-7-(trifluoromethyl)quinoline is COc1cc2c(Cl)c(C)cnc2cc1C(F)(F)F.
What is the InChIKey of 4-chloro-6-methoxy-3-methyl-7-(trifluoromethyl)quinoline?
The InChIKey is ZYTPTPUKKZEOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF3NO/c1-6-5-17-9-4-8(12(14,15)16)10(18-2)3-7(9)11(6)13/h3-5H,1-2H3.
What are the key properties of 4-chloro-6-methoxy-3-methyl-7-(trifluoromethyl)quinoline?
4-chloro-6-methoxy-3-methyl-7-(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 4-chloro-6-methoxy-3-methyl-7-(trifluoromethyl)quinoline is sourced from PubChem (CID 171373255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).