4-(2-piperazin-1-yl-4-pyridinyl)-8-(trifluoromethyl)quinoline;tetrahydrochloride

C19H21Cl4F3N4 — CID 171686354

IUPAC4-(2-piperazin-1-yl-4-pyridinyl)-8-(trifluoromethyl)quinoline;tetrahydrochloride
SMILESCl.Cl.Cl.Cl.FC(F)(F)c1cccc2c(-c3ccnc(N4CCNCC4)c3)ccnc12
InChIInChI=1S/C19H17F3N4.4ClH/c20-19(21,22)16-3-1-2-15-14(5-7-25-18(15)16)13-4-6-24-17(12-13)26-10-8-23-9-11-26;;;;/h1-7,12,23H,8-11H2;4*1H
InChIKeyCDQYPWXEZADSDR-UHFFFAOYSA-N
MW504.21 g/mol
LogP5.41
Rot. Bonds2

About 4-(2-piperazin-1-yl-4-pyridinyl)-8-(trifluoromethyl)quinoline;tetrahydrochloride

4-(2-piperazin-1-yl-4-pyridinyl)-8-(trifluoromethyl)quinoline;tetrahydrochloride (PubChem CID 171686354) has the molecular formula C19H21Cl4F3N4 and a molecular weight of 504.21 g/mol. Its IUPAC name is 4-(2-piperazin-1-yl-4-pyridinyl)-8-(trifluoromethyl)quinoline;tetrahydrochloride.

Molecular Properties

Compound Name4-(2-piperazin-1-yl-4-pyridinyl)-8-(trifluoromethyl)quinoline;tetrahydrochloride
PubChem CID171686354
Molecular FormulaC19H21Cl4F3N4
Molecular Weight504.21 g/mol
Exact Mass502.05
IUPAC Name4-(2-piperazin-1-yl-4-pyridinyl)-8-(trifluoromethyl)quinoline;tetrahydrochloride
SMILESCl.Cl.Cl.Cl.FC(F)(F)c1cccc2c(-c3ccnc(N4CCNCC4)c3)ccnc12
InChIInChI=1S/C19H17F3N4.4ClH/c20-19(21,22)16-3-1-2-15-14(5-7-25-18(15)16)13-4-6-24-17(12-13)26-10-8-23-9-11-26;;;;/h1-7,12,23H,8-11H2;4*1H
InChIKeyCDQYPWXEZADSDR-UHFFFAOYSA-N
XLogP5.41
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.21
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-piperazin-1-yl-4-pyridinyl)-2,8-bis(trifluoromethyl)quinoline
CID 171686339
4-(2-piperazin-1-yl-4-pyridinyl)-8-(trifluoromethoxy)quinoline
CID 171686337
4-(2-piperazin-1-yl-4-pyridinyl)-2-(trifluoromethyl)quinoline;tetrahydrochloride
CID 171686350
6,7-dimethoxy-4-(2-piperazin-1-yl-4-pyridinyl)quinoline;tetrahydrochloride
CID 171686356
4-[(2S)-2-methylpiperazin-1-yl]-8-(trifluoromethyl)quinoline
CID 167910941
N-ethyl-3-[8-(trifluoromethyl)quinolin-4-yl]aniline
CID 174518869
4-(3-nitrophenyl)-8-(trifluoromethyl)quinoline
CID 174518716
1-[4-(4-chlorophenyl)-2-pyridinyl]piperazine
CID 171059987
4-piperazin-1-yl-2-propyl-8-(trifluoromethyl)quinoline
CID 121236577
methane;4-[3-(3-piperidin-4-ylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)quinoline
CID 143659754
1-[4-(1H-pyrazol-5-yl)-2-pyridinyl]piperazine
CID 105486911
4-[3-(4-fluoro-3-methylsulfonylphenyl)phenyl]-8-(trifluoromethyl)quinoline
CID 46887891

Frequently Asked Questions

What is the IUPAC name of 4-(2-piperazin-1-yl-4-pyridinyl)-8-(trifluoromethyl)quinoline;tetrahydrochloride?
The IUPAC name of 4-(2-piperazin-1-yl-4-pyridinyl)-8-(trifluoromethyl)quinoline;tetrahydrochloride (CID 171686354) is 4-(2-piperazin-1-yl-4-pyridinyl)-8-(trifluoromethyl)quinoline;tetrahydrochloride.
What is the SMILES notation for 4-(2-piperazin-1-yl-4-pyridinyl)-8-(trifluoromethyl)quinoline;tetrahydrochloride?
The canonical SMILES for 4-(2-piperazin-1-yl-4-pyridinyl)-8-(trifluoromethyl)quinoline;tetrahydrochloride is Cl.Cl.Cl.Cl.FC(F)(F)c1cccc2c(-c3ccnc(N4CCNCC4)c3)ccnc12.
What is the InChIKey of 4-(2-piperazin-1-yl-4-pyridinyl)-8-(trifluoromethyl)quinoline;tetrahydrochloride?
The InChIKey is CDQYPWXEZADSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4.4ClH/c20-19(21,22)16-3-1-2-15-14(5-7-25-18(15)16)13-4-6-24-17(12-13)26-10-8-23-9-11-26;;;;/h1-7,12,23H,8-11H2;4*1H.
What are the key properties of 4-(2-piperazin-1-yl-4-pyridinyl)-8-(trifluoromethyl)quinoline;tetrahydrochloride?
4-(2-piperazin-1-yl-4-pyridinyl)-8-(trifluoromethyl)quinoline;tetrahydrochloride has a molecular weight of 504.21 g/mol, XLogP of 5.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-piperazin-1-yl-4-pyridinyl)-8-(trifluoromethyl)quinoline;tetrahydrochloride is sourced from PubChem (CID 171686354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).