6-fluoro-8-(3-piperazin-1-ylphenyl)quinoline;hydrochloride

C19H19ClFN3 — CID 154914716

IUPAC6-fluoro-8-(3-piperazin-1-ylphenyl)quinoline;hydrochloride
SMILESCl.Fc1cc(-c2cccc(N3CCNCC3)c2)c2ncccc2c1
InChIInChI=1S/C19H18FN3.ClH/c20-16-11-15-4-2-6-22-19(15)18(13-16)14-3-1-5-17(12-14)23-9-7-21-8-10-23;/h1-6,11-13,21H,7-10H2;1H
InChIKeyDMXKLBORPFKRLG-UHFFFAOYSA-N
MW343.83 g/mol
LogP3.87
Rot. Bonds2

About 6-fluoro-8-(3-piperazin-1-ylphenyl)quinoline;hydrochloride

6-fluoro-8-(3-piperazin-1-ylphenyl)quinoline;hydrochloride (PubChem CID 154914716) has the molecular formula C19H19ClFN3 and a molecular weight of 343.83 g/mol. Its IUPAC name is 6-fluoro-8-(3-piperazin-1-ylphenyl)quinoline;hydrochloride.

Molecular Properties

Compound Name6-fluoro-8-(3-piperazin-1-ylphenyl)quinoline;hydrochloride
PubChem CID154914716
Molecular FormulaC19H19ClFN3
Molecular Weight343.83 g/mol
Exact Mass343.13
IUPAC Name6-fluoro-8-(3-piperazin-1-ylphenyl)quinoline;hydrochloride
SMILESCl.Fc1cc(-c2cccc(N3CCNCC3)c2)c2ncccc2c1
InChIInChI=1S/C19H18FN3.ClH/c20-16-11-15-4-2-6-22-19(15)18(13-16)14-3-1-5-17(12-14)23-9-7-21-8-10-23;/h1-6,11-13,21H,7-10H2;1H
InChIKeyDMXKLBORPFKRLG-UHFFFAOYSA-N
XLogP3.87
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.83
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-chloro-4-(3-fluoro-5-piperazin-1-ylphenyl)pyrimidine
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1-[3-[3-(1H-pyrazol-5-yl)phenyl]phenyl]piperazine
CID 31074314
5-(3-piperazin-1-ylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;dihydrochloride
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6-(1,4-diazepan-1-yl)quinoline
CID 62635992
1-[3-[3-(2-pyridin-3-ylethoxy)-2-pyridinyl]phenyl]piperazine
CID 171833564
1-[3-fluoro-5-(2-fluorophenyl)phenyl]piperazine
CID 11708865
8-(piperazin-1-ylmethyl)quinoline;dihydrochloride
CID 82025621
8-(3-quinolin-8-ylphenyl)quinoline
CID 90955641
1-[3-fluoro-5-[3-(trifluoromethyl)phenyl]phenyl]piperazine
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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-8-(3-piperazin-1-ylphenyl)quinoline;hydrochloride?
The IUPAC name of 6-fluoro-8-(3-piperazin-1-ylphenyl)quinoline;hydrochloride (CID 154914716) is 6-fluoro-8-(3-piperazin-1-ylphenyl)quinoline;hydrochloride.
What is the SMILES notation for 6-fluoro-8-(3-piperazin-1-ylphenyl)quinoline;hydrochloride?
The canonical SMILES for 6-fluoro-8-(3-piperazin-1-ylphenyl)quinoline;hydrochloride is Cl.Fc1cc(-c2cccc(N3CCNCC3)c2)c2ncccc2c1.
What is the InChIKey of 6-fluoro-8-(3-piperazin-1-ylphenyl)quinoline;hydrochloride?
The InChIKey is DMXKLBORPFKRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3.ClH/c20-16-11-15-4-2-6-22-19(15)18(13-16)14-3-1-5-17(12-14)23-9-7-21-8-10-23;/h1-6,11-13,21H,7-10H2;1H.
What are the key properties of 6-fluoro-8-(3-piperazin-1-ylphenyl)quinoline;hydrochloride?
6-fluoro-8-(3-piperazin-1-ylphenyl)quinoline;hydrochloride has a molecular weight of 343.83 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-8-(3-piperazin-1-ylphenyl)quinoline;hydrochloride is sourced from PubChem (CID 154914716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).