4-chloro-8-methoxy-5-methyl-2-(trifluoromethyl)quinoline

C12H9ClF3NO — CID 43668583

IUPAC4-chloro-8-methoxy-5-methyl-2-(trifluoromethyl)quinoline
SMILESCOc1ccc(C)c2c(Cl)cc(C(F)(F)F)nc12
InChIInChI=1S/C12H9ClF3NO/c1-6-3-4-8(18-2)11-10(6)7(13)5-9(17-11)12(14,15)16/h3-5H,1-2H3
InChIKeyBQAQVCGYZZKTBV-UHFFFAOYSA-N
MW275.66 g/mol
LogP4.22
Rot. Bonds1

About 4-chloro-8-methoxy-5-methyl-2-(trifluoromethyl)quinoline

4-chloro-8-methoxy-5-methyl-2-(trifluoromethyl)quinoline (PubChem CID 43668583) has the molecular formula C12H9ClF3NO and a molecular weight of 275.66 g/mol. Its IUPAC name is 4-chloro-8-methoxy-5-methyl-2-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name4-chloro-8-methoxy-5-methyl-2-(trifluoromethyl)quinoline
PubChem CID43668583
Molecular FormulaC12H9ClF3NO
Molecular Weight275.66 g/mol
Exact Mass275.03
IUPAC Name4-chloro-8-methoxy-5-methyl-2-(trifluoromethyl)quinoline
SMILESCOc1ccc(C)c2c(Cl)cc(C(F)(F)F)nc12
InChIInChI=1S/C12H9ClF3NO/c1-6-3-4-8(18-2)11-10(6)7(13)5-9(17-11)12(14,15)16/h3-5H,1-2H3
InChIKeyBQAQVCGYZZKTBV-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-8-methoxy-5-methyl-2-(trifluoromethyl)quinoline?
The IUPAC name of 4-chloro-8-methoxy-5-methyl-2-(trifluoromethyl)quinoline (CID 43668583) is 4-chloro-8-methoxy-5-methyl-2-(trifluoromethyl)quinoline.
What is the SMILES notation for 4-chloro-8-methoxy-5-methyl-2-(trifluoromethyl)quinoline?
The canonical SMILES for 4-chloro-8-methoxy-5-methyl-2-(trifluoromethyl)quinoline is COc1ccc(C)c2c(Cl)cc(C(F)(F)F)nc12.
What is the InChIKey of 4-chloro-8-methoxy-5-methyl-2-(trifluoromethyl)quinoline?
The InChIKey is BQAQVCGYZZKTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF3NO/c1-6-3-4-8(18-2)11-10(6)7(13)5-9(17-11)12(14,15)16/h3-5H,1-2H3.
What are the key properties of 4-chloro-8-methoxy-5-methyl-2-(trifluoromethyl)quinoline?
4-chloro-8-methoxy-5-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 4-chloro-8-methoxy-5-methyl-2-(trifluoromethyl)quinoline is sourced from PubChem (CID 43668583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).