5-chloro-8-(2-ethyl-5,5-dimethylpiperazin-1-yl)quinoline

C17H22ClN3 — CID 116785639

IUPAC5-chloro-8-(2-ethyl-5,5-dimethylpiperazin-1-yl)quinoline
SMILESCCC1CNC(C)(C)CN1c1ccc(Cl)c2cccnc12
InChIInChI=1S/C17H22ClN3/c1-4-12-10-20-17(2,3)11-21(12)15-8-7-14(18)13-6-5-9-19-16(13)15/h5-9,12,20H,4,10-11H2,1-3H3
InChIKeyKHKXZIRXRVFTHR-UHFFFAOYSA-N
MW303.84 g/mol
LogP3.86
Rot. Bonds2

About 5-chloro-8-(2-ethyl-5,5-dimethylpiperazin-1-yl)quinoline

5-chloro-8-(2-ethyl-5,5-dimethylpiperazin-1-yl)quinoline (PubChem CID 116785639) has the molecular formula C17H22ClN3 and a molecular weight of 303.84 g/mol. Its IUPAC name is 5-chloro-8-(2-ethyl-5,5-dimethylpiperazin-1-yl)quinoline.

Molecular Properties

Compound Name5-chloro-8-(2-ethyl-5,5-dimethylpiperazin-1-yl)quinoline
PubChem CID116785639
Molecular FormulaC17H22ClN3
Molecular Weight303.84 g/mol
Exact Mass303.15
IUPAC Name5-chloro-8-(2-ethyl-5,5-dimethylpiperazin-1-yl)quinoline
SMILESCCC1CNC(C)(C)CN1c1ccc(Cl)c2cccnc12
InChIInChI=1S/C17H22ClN3/c1-4-12-10-20-17(2,3)11-21(12)15-8-7-14(18)13-6-5-9-19-16(13)15/h5-9,12,20H,4,10-11H2,1-3H3
InChIKeyKHKXZIRXRVFTHR-UHFFFAOYSA-N
XLogP3.86
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.84
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-2-methylphenyl)-2-ethyl-5,5-dimethylpiperazine
CID 64933334
1-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethyl-5,5-dimethylpiperazine
CID 64941408
1-(5-chloro-2-fluorophenyl)-2-ethyl-5,5-dimethylpiperazine
CID 64934161
2-ethyl-1-[2-(methoxymethyl)phenyl]-5,5-dimethylpiperazine
CID 64946267
1-(5-chloroquinolin-8-yl)-N,2,3-trimethylpiperidin-4-amine
CID 116784923
1-[(3,4-dichlorophenyl)methyl]-2-ethyl-5,5-dimethylpiperazine
CID 64840451
2-ethyl-1-[(3-ethyl-2-pyridinyl)methyl]-5,5-dimethylpiperazine
CID 82745822
2-ethyl-5,5-dimethyl-1-(1-methylpyrazol-3-yl)piperazine
CID 79785793
1-(5-chloroquinolin-8-yl)-3-methylpiperazine-2,5-dione
CID 116785711
2-ethyl-5,5-dimethyl-1-(1-pyridin-2-ylethyl)piperazine
CID 64935510
1-(3-ethoxyphenyl)-2-ethyl-5,5-dimethylpiperazine
CID 64947274
4-(5-aminoquinolin-8-yl)-3-ethylpiperazine-2,6-dione
CID 66068288

Frequently Asked Questions

What is the IUPAC name of 5-chloro-8-(2-ethyl-5,5-dimethylpiperazin-1-yl)quinoline?
The IUPAC name of 5-chloro-8-(2-ethyl-5,5-dimethylpiperazin-1-yl)quinoline (CID 116785639) is 5-chloro-8-(2-ethyl-5,5-dimethylpiperazin-1-yl)quinoline.
What is the SMILES notation for 5-chloro-8-(2-ethyl-5,5-dimethylpiperazin-1-yl)quinoline?
The canonical SMILES for 5-chloro-8-(2-ethyl-5,5-dimethylpiperazin-1-yl)quinoline is CCC1CNC(C)(C)CN1c1ccc(Cl)c2cccnc12.
What is the InChIKey of 5-chloro-8-(2-ethyl-5,5-dimethylpiperazin-1-yl)quinoline?
The InChIKey is KHKXZIRXRVFTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3/c1-4-12-10-20-17(2,3)11-21(12)15-8-7-14(18)13-6-5-9-19-16(13)15/h5-9,12,20H,4,10-11H2,1-3H3.
What are the key properties of 5-chloro-8-(2-ethyl-5,5-dimethylpiperazin-1-yl)quinoline?
5-chloro-8-(2-ethyl-5,5-dimethylpiperazin-1-yl)quinoline has a molecular weight of 303.84 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-8-(2-ethyl-5,5-dimethylpiperazin-1-yl)quinoline is sourced from PubChem (CID 116785639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).