1-[6-(4-methylcyclohexyl)oxy-5-(trifluoromethyl)quinolin-2-yl]ethanone

C19H20F3NO2 — CID 118243912

IUPAC1-[6-(4-methylcyclohexyl)oxy-5-(trifluoromethyl)quinolin-2-yl]ethanone
SMILESCC(=O)c1ccc2c(C(F)(F)F)c(OC3CCC(C)CC3)ccc2n1
InChIInChI=1S/C19H20F3NO2/c1-11-3-5-13(6-4-11)25-17-10-9-16-14(18(17)19(20,21)22)7-8-15(23-16)12(2)24/h7-11,13H,3-6H2,1-2H3
InChIKeyXBWSDMKUHLVOOF-UHFFFAOYSA-N
MW351.37 g/mol
LogP5.41
Rot. Bonds3

About 1-[6-(4-methylcyclohexyl)oxy-5-(trifluoromethyl)quinolin-2-yl]ethanone

1-[6-(4-methylcyclohexyl)oxy-5-(trifluoromethyl)quinolin-2-yl]ethanone (PubChem CID 118243912) has the molecular formula C19H20F3NO2 and a molecular weight of 351.37 g/mol. Its IUPAC name is 1-[6-(4-methylcyclohexyl)oxy-5-(trifluoromethyl)quinolin-2-yl]ethanone.

Molecular Properties

Compound Name1-[6-(4-methylcyclohexyl)oxy-5-(trifluoromethyl)quinolin-2-yl]ethanone
PubChem CID118243912
Molecular FormulaC19H20F3NO2
Molecular Weight351.37 g/mol
Exact Mass351.14
IUPAC Name1-[6-(4-methylcyclohexyl)oxy-5-(trifluoromethyl)quinolin-2-yl]ethanone
SMILESCC(=O)c1ccc2c(C(F)(F)F)c(OC3CCC(C)CC3)ccc2n1
InChIInChI=1S/C19H20F3NO2/c1-11-3-5-13(6-4-11)25-17-10-9-16-14(18(17)19(20,21)22)7-8-15(23-16)12(2)24/h7-11,13H,3-6H2,1-2H3
InChIKeyXBWSDMKUHLVOOF-UHFFFAOYSA-N
XLogP5.41
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.37
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-methylcyclohexyl)oxy-5-(trifluoromethyl)quinolin-2-yl]ethanone?
The IUPAC name of 1-[6-(4-methylcyclohexyl)oxy-5-(trifluoromethyl)quinolin-2-yl]ethanone (CID 118243912) is 1-[6-(4-methylcyclohexyl)oxy-5-(trifluoromethyl)quinolin-2-yl]ethanone.
What is the SMILES notation for 1-[6-(4-methylcyclohexyl)oxy-5-(trifluoromethyl)quinolin-2-yl]ethanone?
The canonical SMILES for 1-[6-(4-methylcyclohexyl)oxy-5-(trifluoromethyl)quinolin-2-yl]ethanone is CC(=O)c1ccc2c(C(F)(F)F)c(OC3CCC(C)CC3)ccc2n1.
What is the InChIKey of 1-[6-(4-methylcyclohexyl)oxy-5-(trifluoromethyl)quinolin-2-yl]ethanone?
The InChIKey is XBWSDMKUHLVOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO2/c1-11-3-5-13(6-4-11)25-17-10-9-16-14(18(17)19(20,21)22)7-8-15(23-16)12(2)24/h7-11,13H,3-6H2,1-2H3.
What are the key properties of 1-[6-(4-methylcyclohexyl)oxy-5-(trifluoromethyl)quinolin-2-yl]ethanone?
1-[6-(4-methylcyclohexyl)oxy-5-(trifluoromethyl)quinolin-2-yl]ethanone has a molecular weight of 351.37 g/mol, XLogP of 5.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-methylcyclohexyl)oxy-5-(trifluoromethyl)quinolin-2-yl]ethanone is sourced from PubChem (CID 118243912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).