oxolan-2-yl-[4-[4-(trifluoromethyl)quinoline-3-carbonyl]piperazin-1-yl]methanone

C20H20F3N3O3 — CID 78844521

IUPACoxolan-2-yl-[4-[4-(trifluoromethyl)quinoline-3-carbonyl]piperazin-1-yl]methanone
SMILESO=C(c1cnc2ccccc2c1C(F)(F)F)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C20H20F3N3O3/c21-20(22,23)17-13-4-1-2-5-15(13)24-12-14(17)18(27)25-7-9-26(10-8-25)19(28)16-6-3-11-29-16/h1-2,4-5,12,16H,3,6-11H2
InChIKeyMVAPYSNNDHTCIA-UHFFFAOYSA-N
MW407.39 g/mol
LogP2.72
Rot. Bonds2

About oxolan-2-yl-[4-[4-(trifluoromethyl)quinoline-3-carbonyl]piperazin-1-yl]methanone

oxolan-2-yl-[4-[4-(trifluoromethyl)quinoline-3-carbonyl]piperazin-1-yl]methanone (PubChem CID 78844521) has the molecular formula C20H20F3N3O3 and a molecular weight of 407.39 g/mol. Its IUPAC name is oxolan-2-yl-[4-[4-(trifluoromethyl)quinoline-3-carbonyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Nameoxolan-2-yl-[4-[4-(trifluoromethyl)quinoline-3-carbonyl]piperazin-1-yl]methanone
PubChem CID78844521
Molecular FormulaC20H20F3N3O3
Molecular Weight407.39 g/mol
Exact Mass407.15
IUPAC Nameoxolan-2-yl-[4-[4-(trifluoromethyl)quinoline-3-carbonyl]piperazin-1-yl]methanone
SMILESO=C(c1cnc2ccccc2c1C(F)(F)F)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C20H20F3N3O3/c21-20(22,23)17-13-4-1-2-5-15(13)24-12-14(17)18(27)25-7-9-26(10-8-25)19(28)16-6-3-11-29-16/h1-2,4-5,12,16H,3,6-11H2
InChIKeyMVAPYSNNDHTCIA-UHFFFAOYSA-N
XLogP2.72
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.39
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)quinolin-3-yl]methanone
CID 78856397
N-(5-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)quinoline-3-carbonyl]piperidine-4-carboxamide
CID 78891005
[4-(2-benzoylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 51183590
[4-(pyridin-4-ylmethyl)piperazin-1-yl]-[4-(trifluoromethyl)quinolin-3-yl]methanone
CID 78844795
[(2S)-oxolan-2-yl]-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone
CID 7346665
N,N-diethyl-2-[4-[4-(trifluoromethyl)quinoline-3-carbonyl]piperazin-1-yl]acetamide
CID 78844945
[4-(3-hydroxynaphthalene-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 51144884
oxolan-2-yl-[4-(4-phenylbenzoyl)piperazin-1-yl]methanone
CID 4782471
oxolan-2-yl-[4-(5-phenyl-1,2-oxazole-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 119074966
[(2R)-oxolan-2-yl]-[4-(5-phenyl-1,2-oxazole-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 126454402
[(2R)-oxolan-2-yl]-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]methanone
CID 2578088
[4-(3-chloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 6976204

Frequently Asked Questions

What is the IUPAC name of oxolan-2-yl-[4-[4-(trifluoromethyl)quinoline-3-carbonyl]piperazin-1-yl]methanone?
The IUPAC name of oxolan-2-yl-[4-[4-(trifluoromethyl)quinoline-3-carbonyl]piperazin-1-yl]methanone (CID 78844521) is oxolan-2-yl-[4-[4-(trifluoromethyl)quinoline-3-carbonyl]piperazin-1-yl]methanone.
What is the SMILES notation for oxolan-2-yl-[4-[4-(trifluoromethyl)quinoline-3-carbonyl]piperazin-1-yl]methanone?
The canonical SMILES for oxolan-2-yl-[4-[4-(trifluoromethyl)quinoline-3-carbonyl]piperazin-1-yl]methanone is O=C(c1cnc2ccccc2c1C(F)(F)F)N1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of oxolan-2-yl-[4-[4-(trifluoromethyl)quinoline-3-carbonyl]piperazin-1-yl]methanone?
The InChIKey is MVAPYSNNDHTCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O3/c21-20(22,23)17-13-4-1-2-5-15(13)24-12-14(17)18(27)25-7-9-26(10-8-25)19(28)16-6-3-11-29-16/h1-2,4-5,12,16H,3,6-11H2.
What are the key properties of oxolan-2-yl-[4-[4-(trifluoromethyl)quinoline-3-carbonyl]piperazin-1-yl]methanone?
oxolan-2-yl-[4-[4-(trifluoromethyl)quinoline-3-carbonyl]piperazin-1-yl]methanone has a molecular weight of 407.39 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-yl-[4-[4-(trifluoromethyl)quinoline-3-carbonyl]piperazin-1-yl]methanone is sourced from PubChem (CID 78844521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).