6-(2,6-dichlorophenoxy)-4-methyl-2-[4-(trifluoromethyl)phenyl]quinoline

C23H14Cl2F3NO — CID 175921285

IUPAC6-(2,6-dichlorophenoxy)-4-methyl-2-[4-(trifluoromethyl)phenyl]quinoline
SMILESCc1cc(-c2ccc(C(F)(F)F)cc2)nc2ccc(Oc3c(Cl)cccc3Cl)cc12
InChIInChI=1S/C23H14Cl2F3NO/c1-13-11-21(14-5-7-15(8-6-14)23(26,27)28)29-20-10-9-16(12-17(13)20)30-22-18(24)3-2-4-19(22)25/h2-12H,1H3
InChIKeyUHSACUDFWQWBSX-UHFFFAOYSA-N
MW448.27 g/mol
LogP8.33
Rot. Bonds3

About 6-(2,6-dichlorophenoxy)-4-methyl-2-[4-(trifluoromethyl)phenyl]quinoline

6-(2,6-dichlorophenoxy)-4-methyl-2-[4-(trifluoromethyl)phenyl]quinoline (PubChem CID 175921285) has the molecular formula C23H14Cl2F3NO and a molecular weight of 448.27 g/mol. Its IUPAC name is 6-(2,6-dichlorophenoxy)-4-methyl-2-[4-(trifluoromethyl)phenyl]quinoline.

Molecular Properties

Compound Name6-(2,6-dichlorophenoxy)-4-methyl-2-[4-(trifluoromethyl)phenyl]quinoline
PubChem CID175921285
Molecular FormulaC23H14Cl2F3NO
Molecular Weight448.27 g/mol
Exact Mass447.04
IUPAC Name6-(2,6-dichlorophenoxy)-4-methyl-2-[4-(trifluoromethyl)phenyl]quinoline
SMILESCc1cc(-c2ccc(C(F)(F)F)cc2)nc2ccc(Oc3c(Cl)cccc3Cl)cc12
InChIInChI=1S/C23H14Cl2F3NO/c1-13-11-21(14-5-7-15(8-6-14)23(26,27)28)29-20-10-9-16(12-17(13)20)30-22-18(24)3-2-4-19(22)25/h2-12H,1H3
InChIKeyUHSACUDFWQWBSX-UHFFFAOYSA-N
XLogP8.33
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.27
LogP ≤ 58.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dichlorophenoxy)-4-methyl-2-[4-(trifluoromethyl)phenyl]quinoline?
The IUPAC name of 6-(2,6-dichlorophenoxy)-4-methyl-2-[4-(trifluoromethyl)phenyl]quinoline (CID 175921285) is 6-(2,6-dichlorophenoxy)-4-methyl-2-[4-(trifluoromethyl)phenyl]quinoline.
What is the SMILES notation for 6-(2,6-dichlorophenoxy)-4-methyl-2-[4-(trifluoromethyl)phenyl]quinoline?
The canonical SMILES for 6-(2,6-dichlorophenoxy)-4-methyl-2-[4-(trifluoromethyl)phenyl]quinoline is Cc1cc(-c2ccc(C(F)(F)F)cc2)nc2ccc(Oc3c(Cl)cccc3Cl)cc12.
What is the InChIKey of 6-(2,6-dichlorophenoxy)-4-methyl-2-[4-(trifluoromethyl)phenyl]quinoline?
The InChIKey is UHSACUDFWQWBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14Cl2F3NO/c1-13-11-21(14-5-7-15(8-6-14)23(26,27)28)29-20-10-9-16(12-17(13)20)30-22-18(24)3-2-4-19(22)25/h2-12H,1H3.
What are the key properties of 6-(2,6-dichlorophenoxy)-4-methyl-2-[4-(trifluoromethyl)phenyl]quinoline?
6-(2,6-dichlorophenoxy)-4-methyl-2-[4-(trifluoromethyl)phenyl]quinoline has a molecular weight of 448.27 g/mol, XLogP of 8.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dichlorophenoxy)-4-methyl-2-[4-(trifluoromethyl)phenyl]quinoline is sourced from PubChem (CID 175921285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).