[2-[2,8-bis(trifluoromethyl)quinolin-4-yl]-3-(1-propylpiperidin-2-yl)propyl] acetate

C24H28F6N2O2 — CID 58160543

IUPAC[2-[2,8-bis(trifluoromethyl)quinolin-4-yl]-3-(1-propylpiperidin-2-yl)propyl] acetate
SMILESCCCN1CCCCC1CC(COC(C)=O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12
InChIInChI=1S/C24H28F6N2O2/c1-3-10-32-11-5-4-7-17(32)12-16(14-34-15(2)33)19-13-21(24(28,29)30)31-22-18(19)8-6-9-20(22)23(25,26)27/h6,8-9,13,16-17H,3-5,7,10-12,14H2,1-2H3
InChIKeyIGTQHFNWRAHMJU-UHFFFAOYSA-N
MW490.49 g/mol
LogP6.57
Rot. Bonds7

About [2-[2,8-bis(trifluoromethyl)quinolin-4-yl]-3-(1-propylpiperidin-2-yl)propyl] acetate

[2-[2,8-bis(trifluoromethyl)quinolin-4-yl]-3-(1-propylpiperidin-2-yl)propyl] acetate (PubChem CID 58160543) has the molecular formula C24H28F6N2O2 and a molecular weight of 490.49 g/mol. Its IUPAC name is [2-[2,8-bis(trifluoromethyl)quinolin-4-yl]-3-(1-propylpiperidin-2-yl)propyl] acetate.

Molecular Properties

Compound Name[2-[2,8-bis(trifluoromethyl)quinolin-4-yl]-3-(1-propylpiperidin-2-yl)propyl] acetate
PubChem CID58160543
Molecular FormulaC24H28F6N2O2
Molecular Weight490.49 g/mol
Exact Mass490.21
IUPAC Name[2-[2,8-bis(trifluoromethyl)quinolin-4-yl]-3-(1-propylpiperidin-2-yl)propyl] acetate
SMILESCCCN1CCCCC1CC(COC(C)=O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12
InChIInChI=1S/C24H28F6N2O2/c1-3-10-32-11-5-4-7-17(32)12-16(14-34-15(2)33)19-13-21(24(28,29)30)31-22-18(19)8-6-9-20(22)23(25,26)27/h6,8-9,13,16-17H,3-5,7,10-12,14H2,1-2H3
InChIKeyIGTQHFNWRAHMJU-UHFFFAOYSA-N
XLogP6.57
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.49
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2,8-bis(trifluoromethyl)quinolin-4-yl]-(1-pentylpiperidin-2-yl)methanol
CID 126761882
benzyl 2-[[2,8-bis(trifluoromethyl)quinolin-4-yl]-hydroxymethyl]piperidine-1-carboxylate
CID 162534490
[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2R)-1-(2-phenylethyl)piperidin-2-yl]methanol
CID 57258588
[2,8-bis(trifluoromethyl)quinolin-4-yl]-cyclopentylmethanol
CID 59451320
1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-pyrrolidin-1-ylethanol
CID 23004032
1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-butoxyethanol
CID 46232979
(R)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(1R,2E)-2-hydroxyiminocyclopentyl]methanol
CID 44519169
(S)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2R)-piperidin-1-ium-2-yl]methanol
CID 24848226
(S)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;hydrazine
CID 87721844
(1R)-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanol
CID 125493987
[2,8-bis(trifluoromethyl)quinolin-4-yl]-[1-(cyclopentylamino)propan-2-ylamino]methanol
CID 71592220
(2S,3S)-2-amino-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-3-methylpentan-1-ol
CID 91400299

Frequently Asked Questions

What is the IUPAC name of [2-[2,8-bis(trifluoromethyl)quinolin-4-yl]-3-(1-propylpiperidin-2-yl)propyl] acetate?
The IUPAC name of [2-[2,8-bis(trifluoromethyl)quinolin-4-yl]-3-(1-propylpiperidin-2-yl)propyl] acetate (CID 58160543) is [2-[2,8-bis(trifluoromethyl)quinolin-4-yl]-3-(1-propylpiperidin-2-yl)propyl] acetate.
What is the SMILES notation for [2-[2,8-bis(trifluoromethyl)quinolin-4-yl]-3-(1-propylpiperidin-2-yl)propyl] acetate?
The canonical SMILES for [2-[2,8-bis(trifluoromethyl)quinolin-4-yl]-3-(1-propylpiperidin-2-yl)propyl] acetate is CCCN1CCCCC1CC(COC(C)=O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12.
What is the InChIKey of [2-[2,8-bis(trifluoromethyl)quinolin-4-yl]-3-(1-propylpiperidin-2-yl)propyl] acetate?
The InChIKey is IGTQHFNWRAHMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F6N2O2/c1-3-10-32-11-5-4-7-17(32)12-16(14-34-15(2)33)19-13-21(24(28,29)30)31-22-18(19)8-6-9-20(22)23(25,26)27/h6,8-9,13,16-17H,3-5,7,10-12,14H2,1-2H3.
What are the key properties of [2-[2,8-bis(trifluoromethyl)quinolin-4-yl]-3-(1-propylpiperidin-2-yl)propyl] acetate?
[2-[2,8-bis(trifluoromethyl)quinolin-4-yl]-3-(1-propylpiperidin-2-yl)propyl] acetate has a molecular weight of 490.49 g/mol, XLogP of 6.57, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2,8-bis(trifluoromethyl)quinolin-4-yl]-3-(1-propylpiperidin-2-yl)propyl] acetate is sourced from PubChem (CID 58160543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).