1-[4-piperazin-1-yl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone

C16H20F3N3O — CID 70922332

IUPAC1-[4-piperazin-1-yl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC(=O)N1CCC(N2CCNCC2)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C16H20F3N3O/c1-11(23)22-7-4-14(21-8-5-20-6-9-21)13-3-2-12(10-15(13)22)16(17,18)19/h2-3,10,14,20H,4-9H2,1H3
InChIKeyWMINDGBJXFTCET-UHFFFAOYSA-N
MW327.35 g/mol
LogP2.41
Rot. Bonds1

About 1-[4-piperazin-1-yl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone

1-[4-piperazin-1-yl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone (PubChem CID 70922332) has the molecular formula C16H20F3N3O and a molecular weight of 327.35 g/mol. Its IUPAC name is 1-[4-piperazin-1-yl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-piperazin-1-yl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
PubChem CID70922332
Molecular FormulaC16H20F3N3O
Molecular Weight327.35 g/mol
Exact Mass327.16
IUPAC Name1-[4-piperazin-1-yl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC(=O)N1CCC(N2CCNCC2)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C16H20F3N3O/c1-11(23)22-7-4-14(21-8-5-20-6-9-21)13-3-2-12(10-15(13)22)16(17,18)19/h2-3,10,14,20H,4-9H2,1H3
InChIKeyWMINDGBJXFTCET-UHFFFAOYSA-N
XLogP2.41
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-piperazin-1-yl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The IUPAC name of 1-[4-piperazin-1-yl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone (CID 70922332) is 1-[4-piperazin-1-yl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone.
What is the SMILES notation for 1-[4-piperazin-1-yl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The canonical SMILES for 1-[4-piperazin-1-yl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone is CC(=O)N1CCC(N2CCNCC2)c2ccc(C(F)(F)F)cc21.
What is the InChIKey of 1-[4-piperazin-1-yl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The InChIKey is WMINDGBJXFTCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N3O/c1-11(23)22-7-4-14(21-8-5-20-6-9-21)13-3-2-12(10-15(13)22)16(17,18)19/h2-3,10,14,20H,4-9H2,1H3.
What are the key properties of 1-[4-piperazin-1-yl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
1-[4-piperazin-1-yl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone has a molecular weight of 327.35 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-piperazin-1-yl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone is sourced from PubChem (CID 70922332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).