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

C19H21Cl4F3N4 — CID 171686350

IUPAC4-(2-piperazin-1-yl-4-pyridinyl)-2-(trifluoromethyl)quinoline;tetrahydrochloride
SMILESCl.Cl.Cl.Cl.FC(F)(F)c1cc(-c2ccnc(N3CCNCC3)c2)c2ccccc2n1
InChIInChI=1S/C19H17F3N4.4ClH/c20-19(21,22)17-12-15(14-3-1-2-4-16(14)25-17)13-5-6-24-18(11-13)26-9-7-23-8-10-26;;;;/h1-6,11-12,23H,7-10H2;4*1H
InChIKeyYKXOZBGJLGVGSQ-UHFFFAOYSA-N
MW504.21 g/mol
LogP5.41
Rot. Bonds2

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

4-(2-piperazin-1-yl-4-pyridinyl)-2-(trifluoromethyl)quinoline;tetrahydrochloride (PubChem CID 171686350) 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)-2-(trifluoromethyl)quinoline;tetrahydrochloride.

Molecular Properties

Compound Name4-(2-piperazin-1-yl-4-pyridinyl)-2-(trifluoromethyl)quinoline;tetrahydrochloride
PubChem CID171686350
Molecular FormulaC19H21Cl4F3N4
Molecular Weight504.21 g/mol
Exact Mass502.05
IUPAC Name4-(2-piperazin-1-yl-4-pyridinyl)-2-(trifluoromethyl)quinoline;tetrahydrochloride
SMILESCl.Cl.Cl.Cl.FC(F)(F)c1cc(-c2ccnc(N3CCNCC3)c2)c2ccccc2n1
InChIInChI=1S/C19H17F3N4.4ClH/c20-19(21,22)17-12-15(14-3-1-2-4-16(14)25-17)13-5-6-24-18(11-13)26-9-7-23-8-10-26;;;;/h1-6,11-12,23H,7-10H2;4*1H
InChIKeyYKXOZBGJLGVGSQ-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-(trifluoromethyl)quinoline;tetrahydrochloride
CID 171686354
2,4-diphenyl-6-(2-piperazin-1-yl-4-pyridinyl)pyrimidine
CID 171686343
4-(2-piperazin-1-yl-4-pyridinyl)-8-(trifluoromethoxy)quinoline
CID 171686337
6-methoxy-2-methyl-4-(2-piperazin-1-yl-4-pyridinyl)quinoline;tetrahydrochloride
CID 171686344
5-piperazin-1-yl-2-(trifluoromethyl)-1,6-naphthyridine
CID 11514685
4-phenyl-6-piperazin-1-yl-3-(trifluoromethyl)pyridazine
CID 24880031
6,7-dimethoxy-4-(2-piperazin-1-yl-4-pyridinyl)quinoline;tetrahydrochloride
CID 171686356
1-[2-(trifluoromethyl)-4-pyridinyl]piperazine;dihydrochloride
CID 154825576
1-[4-(4-chlorophenyl)-2-pyridinyl]piperazine
CID 171059987
2-methyl-4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine;dihydrochloride
CID 166606228
4-methyl-2-piperazin-1-ylquinoline
CID 598754

Frequently Asked Questions

What is the IUPAC name of 4-(2-piperazin-1-yl-4-pyridinyl)-2-(trifluoromethyl)quinoline;tetrahydrochloride?
The IUPAC name of 4-(2-piperazin-1-yl-4-pyridinyl)-2-(trifluoromethyl)quinoline;tetrahydrochloride (CID 171686350) is 4-(2-piperazin-1-yl-4-pyridinyl)-2-(trifluoromethyl)quinoline;tetrahydrochloride.
What is the SMILES notation for 4-(2-piperazin-1-yl-4-pyridinyl)-2-(trifluoromethyl)quinoline;tetrahydrochloride?
The canonical SMILES for 4-(2-piperazin-1-yl-4-pyridinyl)-2-(trifluoromethyl)quinoline;tetrahydrochloride is Cl.Cl.Cl.Cl.FC(F)(F)c1cc(-c2ccnc(N3CCNCC3)c2)c2ccccc2n1.
What is the InChIKey of 4-(2-piperazin-1-yl-4-pyridinyl)-2-(trifluoromethyl)quinoline;tetrahydrochloride?
The InChIKey is YKXOZBGJLGVGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4.4ClH/c20-19(21,22)17-12-15(14-3-1-2-4-16(14)25-17)13-5-6-24-18(11-13)26-9-7-23-8-10-26;;;;/h1-6,11-12,23H,7-10H2;4*1H.
What are the key properties of 4-(2-piperazin-1-yl-4-pyridinyl)-2-(trifluoromethyl)quinoline;tetrahydrochloride?
4-(2-piperazin-1-yl-4-pyridinyl)-2-(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)-2-(trifluoromethyl)quinoline;tetrahydrochloride is sourced from PubChem (CID 171686350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).