5-[3-[4-fluoro-2-(trifluoromethyl)phenyl]propanoyl]-6,7-dihydro-5H-quinolin-8-one

C19H15F4NO2 — CID 158854009

IUPAC5-[3-[4-fluoro-2-(trifluoromethyl)phenyl]propanoyl]-6,7-dihydro-5H-quinolin-8-one
SMILESO=C1CCC(C(=O)CCc2ccc(F)cc2C(F)(F)F)c2cccnc21
InChIInChI=1S/C19H15F4NO2/c20-12-5-3-11(15(10-12)19(21,22)23)4-7-16(25)13-6-8-17(26)18-14(13)2-1-9-24-18/h1-3,5,9-10,13H,4,6-8H2
InChIKeyIZURSRZMXLPSBJ-UHFFFAOYSA-N
MW365.33 g/mol
LogP4.50
Rot. Bonds4

About 5-[3-[4-fluoro-2-(trifluoromethyl)phenyl]propanoyl]-6,7-dihydro-5H-quinolin-8-one

5-[3-[4-fluoro-2-(trifluoromethyl)phenyl]propanoyl]-6,7-dihydro-5H-quinolin-8-one (PubChem CID 158854009) has the molecular formula C19H15F4NO2 and a molecular weight of 365.33 g/mol. Its IUPAC name is 5-[3-[4-fluoro-2-(trifluoromethyl)phenyl]propanoyl]-6,7-dihydro-5H-quinolin-8-one.

Molecular Properties

Compound Name5-[3-[4-fluoro-2-(trifluoromethyl)phenyl]propanoyl]-6,7-dihydro-5H-quinolin-8-one
PubChem CID158854009
Molecular FormulaC19H15F4NO2
Molecular Weight365.33 g/mol
Exact Mass365.10
IUPAC Name5-[3-[4-fluoro-2-(trifluoromethyl)phenyl]propanoyl]-6,7-dihydro-5H-quinolin-8-one
SMILESO=C1CCC(C(=O)CCc2ccc(F)cc2C(F)(F)F)c2cccnc21
InChIInChI=1S/C19H15F4NO2/c20-12-5-3-11(15(10-12)19(21,22)23)4-7-16(25)13-6-8-17(26)18-14(13)2-1-9-24-18/h1-3,5,9-10,13H,4,6-8H2
InChIKeyIZURSRZMXLPSBJ-UHFFFAOYSA-N
XLogP4.50
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.33
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-fluoro-2-(trifluoromethyl)phenyl]propanoyl]-6,7-dihydro-5H-quinolin-8-one?
The IUPAC name of 5-[3-[4-fluoro-2-(trifluoromethyl)phenyl]propanoyl]-6,7-dihydro-5H-quinolin-8-one (CID 158854009) is 5-[3-[4-fluoro-2-(trifluoromethyl)phenyl]propanoyl]-6,7-dihydro-5H-quinolin-8-one.
What is the SMILES notation for 5-[3-[4-fluoro-2-(trifluoromethyl)phenyl]propanoyl]-6,7-dihydro-5H-quinolin-8-one?
The canonical SMILES for 5-[3-[4-fluoro-2-(trifluoromethyl)phenyl]propanoyl]-6,7-dihydro-5H-quinolin-8-one is O=C1CCC(C(=O)CCc2ccc(F)cc2C(F)(F)F)c2cccnc21.
What is the InChIKey of 5-[3-[4-fluoro-2-(trifluoromethyl)phenyl]propanoyl]-6,7-dihydro-5H-quinolin-8-one?
The InChIKey is IZURSRZMXLPSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F4NO2/c20-12-5-3-11(15(10-12)19(21,22)23)4-7-16(25)13-6-8-17(26)18-14(13)2-1-9-24-18/h1-3,5,9-10,13H,4,6-8H2.
What are the key properties of 5-[3-[4-fluoro-2-(trifluoromethyl)phenyl]propanoyl]-6,7-dihydro-5H-quinolin-8-one?
5-[3-[4-fluoro-2-(trifluoromethyl)phenyl]propanoyl]-6,7-dihydro-5H-quinolin-8-one has a molecular weight of 365.33 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-fluoro-2-(trifluoromethyl)phenyl]propanoyl]-6,7-dihydro-5H-quinolin-8-one is sourced from PubChem (CID 158854009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).