3-(2,3-dihydro-1H-inden-1-yl)-2-(trifluoromethyl)-1H-quinolin-4-one

C19H14F3NO — CID 90747358

IUPAC3-(2,3-dihydro-1H-inden-1-yl)-2-(trifluoromethyl)-1H-quinolin-4-one
SMILESO=c1c(C2CCc3ccccc32)c(C(F)(F)F)[nH]c2ccccc12
InChIInChI=1S/C19H14F3NO/c20-19(21,22)18-16(13-10-9-11-5-1-2-6-12(11)13)17(24)14-7-3-4-8-15(14)23-18/h1-8,13H,9-10H2,(H,23,24)
InChIKeyHFPLBENOYUCEGX-UHFFFAOYSA-N
MW329.32 g/mol
LogP4.62
Rot. Bonds1

About 3-(2,3-dihydro-1H-inden-1-yl)-2-(trifluoromethyl)-1H-quinolin-4-one

3-(2,3-dihydro-1H-inden-1-yl)-2-(trifluoromethyl)-1H-quinolin-4-one (PubChem CID 90747358) has the molecular formula C19H14F3NO and a molecular weight of 329.32 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-1-yl)-2-(trifluoromethyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-1-yl)-2-(trifluoromethyl)-1H-quinolin-4-one
PubChem CID90747358
Molecular FormulaC19H14F3NO
Molecular Weight329.32 g/mol
Exact Mass329.10
IUPAC Name3-(2,3-dihydro-1H-inden-1-yl)-2-(trifluoromethyl)-1H-quinolin-4-one
SMILESO=c1c(C2CCc3ccccc32)c(C(F)(F)F)[nH]c2ccccc12
InChIInChI=1S/C19H14F3NO/c20-19(21,22)18-16(13-10-9-11-5-1-2-6-12(11)13)17(24)14-7-3-4-8-15(14)23-18/h1-8,13H,9-10H2,(H,23,24)
InChIKeyHFPLBENOYUCEGX-UHFFFAOYSA-N
XLogP4.62
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-oxo-2-(trifluoromethyl)-1H-quinoline-3-carbaldehyde
CID 88950390
3-(bromomethyl)-2-(trifluoromethyl)-1H-quinolin-4-one
CID 154728171
2-(2,3-dihydro-1H-inden-1-yl)-1,4-dihydroimidazol-5-one
CID 106951843
10H-acridin-9-one
CID 22753806
2-amino-1-[2-(trifluoromethyl)-1H-indol-3-yl]ethanone
CID 84703215
2-[(1R)-2,3-dihydro-1H-inden-1-yl]phenol
CID 86317176
(4S)-4-[2-(trifluoromethyl)phenyl]-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione
CID 7220900
(4-fluorophenyl)-[2-(trifluoromethyl)-1H-indol-3-yl]methanone
CID 131870896
4-hydroxy-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]chromen-2-one
CID 54750304
2-(2,3-dihydro-1H-inden-1-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 65406764
10H-acridin-9-one;ethane
CID 91525380
2-pyridin-2-yl-3-(trifluoromethyl)-1H-quinolin-4-one
CID 164679303

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-1-yl)-2-(trifluoromethyl)-1H-quinolin-4-one?
The IUPAC name of 3-(2,3-dihydro-1H-inden-1-yl)-2-(trifluoromethyl)-1H-quinolin-4-one (CID 90747358) is 3-(2,3-dihydro-1H-inden-1-yl)-2-(trifluoromethyl)-1H-quinolin-4-one.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-1-yl)-2-(trifluoromethyl)-1H-quinolin-4-one?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-1-yl)-2-(trifluoromethyl)-1H-quinolin-4-one is O=c1c(C2CCc3ccccc32)c(C(F)(F)F)[nH]c2ccccc12.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-1-yl)-2-(trifluoromethyl)-1H-quinolin-4-one?
The InChIKey is HFPLBENOYUCEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3NO/c20-19(21,22)18-16(13-10-9-11-5-1-2-6-12(11)13)17(24)14-7-3-4-8-15(14)23-18/h1-8,13H,9-10H2,(H,23,24).
What are the key properties of 3-(2,3-dihydro-1H-inden-1-yl)-2-(trifluoromethyl)-1H-quinolin-4-one?
3-(2,3-dihydro-1H-inden-1-yl)-2-(trifluoromethyl)-1H-quinolin-4-one has a molecular weight of 329.32 g/mol, XLogP of 4.62, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-1-yl)-2-(trifluoromethyl)-1H-quinolin-4-one is sourced from PubChem (CID 90747358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).