1-[2-methyl-4-phenyl-6-(trifluoromethoxy)quinolin-3-yl]ethanone

C19H14F3NO2 — CID 830053

IUPAC1-[2-methyl-4-phenyl-6-(trifluoromethoxy)quinolin-3-yl]ethanone
SMILESCC(=O)c1c(C)nc2ccc(OC(F)(F)F)cc2c1-c1ccccc1
InChIInChI=1S/C19H14F3NO2/c1-11-17(12(2)24)18(13-6-4-3-5-7-13)15-10-14(25-19(20,21)22)8-9-16(15)23-11/h3-10H,1-2H3
InChIKeyBERKUABFDUMHGM-UHFFFAOYSA-N
MW345.32 g/mol
LogP5.31
Rot. Bonds3

About 1-[2-methyl-4-phenyl-6-(trifluoromethoxy)quinolin-3-yl]ethanone

1-[2-methyl-4-phenyl-6-(trifluoromethoxy)quinolin-3-yl]ethanone (PubChem CID 830053) has the molecular formula C19H14F3NO2 and a molecular weight of 345.32 g/mol. Its IUPAC name is 1-[2-methyl-4-phenyl-6-(trifluoromethoxy)quinolin-3-yl]ethanone.

Molecular Properties

Compound Name1-[2-methyl-4-phenyl-6-(trifluoromethoxy)quinolin-3-yl]ethanone
PubChem CID830053
Molecular FormulaC19H14F3NO2
Molecular Weight345.32 g/mol
Exact Mass345.10
IUPAC Name1-[2-methyl-4-phenyl-6-(trifluoromethoxy)quinolin-3-yl]ethanone
SMILESCC(=O)c1c(C)nc2ccc(OC(F)(F)F)cc2c1-c1ccccc1
InChIInChI=1S/C19H14F3NO2/c1-11-17(12(2)24)18(13-6-4-3-5-7-13)15-10-14(25-19(20,21)22)8-9-16(15)23-11/h3-10H,1-2H3
InChIKeyBERKUABFDUMHGM-UHFFFAOYSA-N
XLogP5.31
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.32
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-4-phenyl-6-(trifluoromethoxy)quinolin-3-yl]ethanone?
The IUPAC name of 1-[2-methyl-4-phenyl-6-(trifluoromethoxy)quinolin-3-yl]ethanone (CID 830053) is 1-[2-methyl-4-phenyl-6-(trifluoromethoxy)quinolin-3-yl]ethanone.
What is the SMILES notation for 1-[2-methyl-4-phenyl-6-(trifluoromethoxy)quinolin-3-yl]ethanone?
The canonical SMILES for 1-[2-methyl-4-phenyl-6-(trifluoromethoxy)quinolin-3-yl]ethanone is CC(=O)c1c(C)nc2ccc(OC(F)(F)F)cc2c1-c1ccccc1.
What is the InChIKey of 1-[2-methyl-4-phenyl-6-(trifluoromethoxy)quinolin-3-yl]ethanone?
The InChIKey is BERKUABFDUMHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3NO2/c1-11-17(12(2)24)18(13-6-4-3-5-7-13)15-10-14(25-19(20,21)22)8-9-16(15)23-11/h3-10H,1-2H3.
What are the key properties of 1-[2-methyl-4-phenyl-6-(trifluoromethoxy)quinolin-3-yl]ethanone?
1-[2-methyl-4-phenyl-6-(trifluoromethoxy)quinolin-3-yl]ethanone has a molecular weight of 345.32 g/mol, XLogP of 5.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-4-phenyl-6-(trifluoromethoxy)quinolin-3-yl]ethanone is sourced from PubChem (CID 830053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).