8-fluoro-2-(4-propan-2-ylpiperazin-1-yl)quinoline;hydrochloride

C16H21ClFN3 — CID 68859294

IUPAC8-fluoro-2-(4-propan-2-ylpiperazin-1-yl)quinoline;hydrochloride
SMILESCC(C)N1CCN(c2ccc3cccc(F)c3n2)CC1.Cl
InChIInChI=1S/C16H20FN3.ClH/c1-12(2)19-8-10-20(11-9-19)15-7-6-13-4-3-5-14(17)16(13)18-15;/h3-7,12H,8-11H2,1-2H3;1H
InChIKeyKRANYSMMHHOGDK-UHFFFAOYSA-N
MW309.82 g/mol
LogP3.33
Rot. Bonds2

About 8-fluoro-2-(4-propan-2-ylpiperazin-1-yl)quinoline;hydrochloride

8-fluoro-2-(4-propan-2-ylpiperazin-1-yl)quinoline;hydrochloride (PubChem CID 68859294) has the molecular formula C16H21ClFN3 and a molecular weight of 309.82 g/mol. Its IUPAC name is 8-fluoro-2-(4-propan-2-ylpiperazin-1-yl)quinoline;hydrochloride.

Molecular Properties

Compound Name8-fluoro-2-(4-propan-2-ylpiperazin-1-yl)quinoline;hydrochloride
PubChem CID68859294
Molecular FormulaC16H21ClFN3
Molecular Weight309.82 g/mol
Exact Mass309.14
IUPAC Name8-fluoro-2-(4-propan-2-ylpiperazin-1-yl)quinoline;hydrochloride
SMILESCC(C)N1CCN(c2ccc3cccc(F)c3n2)CC1.Cl
InChIInChI=1S/C16H20FN3.ClH/c1-12(2)19-8-10-20(11-9-19)15-7-6-13-4-3-5-14(17)16(13)18-15;/h3-7,12H,8-11H2,1-2H3;1H
InChIKeyKRANYSMMHHOGDK-UHFFFAOYSA-N
XLogP3.33
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-(4-propan-2-ylpiperazin-1-yl)quinoline;hydrochloride
CID 68859336
8-(2-fluorophenyl)-2-(4-methylsulfonylpiperazin-1-yl)quinoline
CID 24733626
1-(1-benzofuran-7-yl)-4-propan-2-ylpiperazine;hydrochloride
CID 21286423
2-propan-2-yloxy-6-(4-propan-2-ylpiperazin-1-yl)pyridin-3-amine
CID 43585063
8-(2-fluorophenyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]quinoline
CID 24733614
3-chloro-6-(4-propan-2-ylpiperazin-1-yl)pyridazine
CID 20823118
2-piperidin-1-ylquinolin-8-amine
CID 105484956
2-[4-(4-methoxyphenyl)piperazin-1-yl]quinolin-8-ol
CID 82107926
2-[4-[(8-fluoroquinolin-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 45206867
1-[5-[4-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]-2-pyridinyl]-4-propan-2-ylpiperazine
CID 58804222
1-[5-(4-chlorophenyl)-2-pyridinyl]-4-propan-2-ylpiperazine
CID 15951315
2-(4-pentan-3-ylpiperazin-1-yl)quinoline
CID 11314275

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-(4-propan-2-ylpiperazin-1-yl)quinoline;hydrochloride?
The IUPAC name of 8-fluoro-2-(4-propan-2-ylpiperazin-1-yl)quinoline;hydrochloride (CID 68859294) is 8-fluoro-2-(4-propan-2-ylpiperazin-1-yl)quinoline;hydrochloride.
What is the SMILES notation for 8-fluoro-2-(4-propan-2-ylpiperazin-1-yl)quinoline;hydrochloride?
The canonical SMILES for 8-fluoro-2-(4-propan-2-ylpiperazin-1-yl)quinoline;hydrochloride is CC(C)N1CCN(c2ccc3cccc(F)c3n2)CC1.Cl.
What is the InChIKey of 8-fluoro-2-(4-propan-2-ylpiperazin-1-yl)quinoline;hydrochloride?
The InChIKey is KRANYSMMHHOGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3.ClH/c1-12(2)19-8-10-20(11-9-19)15-7-6-13-4-3-5-14(17)16(13)18-15;/h3-7,12H,8-11H2,1-2H3;1H.
What are the key properties of 8-fluoro-2-(4-propan-2-ylpiperazin-1-yl)quinoline;hydrochloride?
8-fluoro-2-(4-propan-2-ylpiperazin-1-yl)quinoline;hydrochloride has a molecular weight of 309.82 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-(4-propan-2-ylpiperazin-1-yl)quinoline;hydrochloride is sourced from PubChem (CID 68859294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).