4-(2-piperazin-1-yl-4-pyridinyl)-8-(trifluoromethoxy)quinoline

C19H17F3N4O — CID 171686337

IUPAC4-(2-piperazin-1-yl-4-pyridinyl)-8-(trifluoromethoxy)quinoline
SMILESFC(F)(F)Oc1cccc2c(-c3ccnc(N4CCNCC4)c3)ccnc12
InChIInChI=1S/C19H17F3N4O/c20-19(21,22)27-16-3-1-2-15-14(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
InChIKeyLRUJMUDSOMSUFZ-UHFFFAOYSA-N
MW374.37 g/mol
LogP3.61
Rot. Bonds3

About 4-(2-piperazin-1-yl-4-pyridinyl)-8-(trifluoromethoxy)quinoline

4-(2-piperazin-1-yl-4-pyridinyl)-8-(trifluoromethoxy)quinoline (PubChem CID 171686337) has the molecular formula C19H17F3N4O and a molecular weight of 374.37 g/mol. Its IUPAC name is 4-(2-piperazin-1-yl-4-pyridinyl)-8-(trifluoromethoxy)quinoline.

Molecular Properties

Compound Name4-(2-piperazin-1-yl-4-pyridinyl)-8-(trifluoromethoxy)quinoline
PubChem CID171686337
Molecular FormulaC19H17F3N4O
Molecular Weight374.37 g/mol
Exact Mass374.14
IUPAC Name4-(2-piperazin-1-yl-4-pyridinyl)-8-(trifluoromethoxy)quinoline
SMILESFC(F)(F)Oc1cccc2c(-c3ccnc(N4CCNCC4)c3)ccnc12
InChIInChI=1S/C19H17F3N4O/c20-19(21,22)27-16-3-1-2-15-14(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
InChIKeyLRUJMUDSOMSUFZ-UHFFFAOYSA-N
XLogP3.61
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-piperazin-1-yl-4-pyridinyl)-8-(trifluoromethyl)quinoline;tetrahydrochloride
CID 171686354
4-(2-piperazin-1-yl-4-pyridinyl)-2,8-bis(trifluoromethyl)quinoline
CID 171686339
6,7-dimethoxy-4-(2-piperazin-1-yl-4-pyridinyl)quinoline;tetrahydrochloride
CID 171686356
4-(2-piperazin-1-yl-4-pyridinyl)-2-(trifluoromethyl)quinoline;tetrahydrochloride
CID 171686350
4-piperazin-1-yl-2-propyl-8-(trifluoromethoxy)quinoline;hydrochloride
CID 121236574
3-chloro-2-methyl-4-piperazin-1-yl-8-(trifluoromethoxy)quinoline
CID 121236417
1-[4-(4-chlorophenyl)-2-pyridinyl]piperazine
CID 171059987
1-[4-(1H-pyrazol-5-yl)-2-pyridinyl]piperazine
CID 105486911
3-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-4-pyridinyl]-5-(trifluoromethoxy)-1H-indazole
CID 90400906
[4-chloro-2-(2-piperazin-1-yl-4-pyridinyl)phenyl] 2,2-dimethylpropanoate
CID 175287819
1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazine;hydrochloride
CID 23133624
2,4-diphenyl-6-(2-piperazin-1-yl-4-pyridinyl)pyrimidine
CID 171686343

Frequently Asked Questions

What is the IUPAC name of 4-(2-piperazin-1-yl-4-pyridinyl)-8-(trifluoromethoxy)quinoline?
The IUPAC name of 4-(2-piperazin-1-yl-4-pyridinyl)-8-(trifluoromethoxy)quinoline (CID 171686337) is 4-(2-piperazin-1-yl-4-pyridinyl)-8-(trifluoromethoxy)quinoline.
What is the SMILES notation for 4-(2-piperazin-1-yl-4-pyridinyl)-8-(trifluoromethoxy)quinoline?
The canonical SMILES for 4-(2-piperazin-1-yl-4-pyridinyl)-8-(trifluoromethoxy)quinoline is FC(F)(F)Oc1cccc2c(-c3ccnc(N4CCNCC4)c3)ccnc12.
What is the InChIKey of 4-(2-piperazin-1-yl-4-pyridinyl)-8-(trifluoromethoxy)quinoline?
The InChIKey is LRUJMUDSOMSUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O/c20-19(21,22)27-16-3-1-2-15-14(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.
What are the key properties of 4-(2-piperazin-1-yl-4-pyridinyl)-8-(trifluoromethoxy)quinoline?
4-(2-piperazin-1-yl-4-pyridinyl)-8-(trifluoromethoxy)quinoline has a molecular weight of 374.37 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-piperazin-1-yl-4-pyridinyl)-8-(trifluoromethoxy)quinoline is sourced from PubChem (CID 171686337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).