4-piperazin-1-yl-2-propyl-8-(trifluoromethoxy)quinoline;hydrochloride

C17H21ClF3N3O — CID 121236574

IUPAC4-piperazin-1-yl-2-propyl-8-(trifluoromethoxy)quinoline;hydrochloride
SMILESCCCc1cc(N2CCNCC2)c2cccc(OC(F)(F)F)c2n1.Cl
InChIInChI=1S/C17H20F3N3O.ClH/c1-2-4-12-11-14(23-9-7-21-8-10-23)13-5-3-6-15(16(13)22-12)24-17(18,19)20;/h3,5-6,11,21H,2,4,7-10H2,1H3;1H
InChIKeyLHNLFXPFOZGJMC-UHFFFAOYSA-N
MW375.82 g/mol
LogP3.92
Rot. Bonds4

About 4-piperazin-1-yl-2-propyl-8-(trifluoromethoxy)quinoline;hydrochloride

4-piperazin-1-yl-2-propyl-8-(trifluoromethoxy)quinoline;hydrochloride (PubChem CID 121236574) has the molecular formula C17H21ClF3N3O and a molecular weight of 375.82 g/mol. Its IUPAC name is 4-piperazin-1-yl-2-propyl-8-(trifluoromethoxy)quinoline;hydrochloride.

Molecular Properties

Compound Name4-piperazin-1-yl-2-propyl-8-(trifluoromethoxy)quinoline;hydrochloride
PubChem CID121236574
Molecular FormulaC17H21ClF3N3O
Molecular Weight375.82 g/mol
Exact Mass375.13
IUPAC Name4-piperazin-1-yl-2-propyl-8-(trifluoromethoxy)quinoline;hydrochloride
SMILESCCCc1cc(N2CCNCC2)c2cccc(OC(F)(F)F)c2n1.Cl
InChIInChI=1S/C17H20F3N3O.ClH/c1-2-4-12-11-14(23-9-7-21-8-10-23)13-5-3-6-15(16(13)22-12)24-17(18,19)20;/h3,5-6,11,21H,2,4,7-10H2,1H3;1H
InChIKeyLHNLFXPFOZGJMC-UHFFFAOYSA-N
XLogP3.92
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.82
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-piperazin-1-yl-2-propyl-8-(trifluoromethoxy)quinoline;hydrochloride?
The IUPAC name of 4-piperazin-1-yl-2-propyl-8-(trifluoromethoxy)quinoline;hydrochloride (CID 121236574) is 4-piperazin-1-yl-2-propyl-8-(trifluoromethoxy)quinoline;hydrochloride.
What is the SMILES notation for 4-piperazin-1-yl-2-propyl-8-(trifluoromethoxy)quinoline;hydrochloride?
The canonical SMILES for 4-piperazin-1-yl-2-propyl-8-(trifluoromethoxy)quinoline;hydrochloride is CCCc1cc(N2CCNCC2)c2cccc(OC(F)(F)F)c2n1.Cl.
What is the InChIKey of 4-piperazin-1-yl-2-propyl-8-(trifluoromethoxy)quinoline;hydrochloride?
The InChIKey is LHNLFXPFOZGJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O.ClH/c1-2-4-12-11-14(23-9-7-21-8-10-23)13-5-3-6-15(16(13)22-12)24-17(18,19)20;/h3,5-6,11,21H,2,4,7-10H2,1H3;1H.
What are the key properties of 4-piperazin-1-yl-2-propyl-8-(trifluoromethoxy)quinoline;hydrochloride?
4-piperazin-1-yl-2-propyl-8-(trifluoromethoxy)quinoline;hydrochloride has a molecular weight of 375.82 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperazin-1-yl-2-propyl-8-(trifluoromethoxy)quinoline;hydrochloride is sourced from PubChem (CID 121236574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).