7-chloro-4-[2-(4-methylpiperazin-1-yl)ethyl]quinoline

C16H20ClN3 — CID 123684098

IUPAC7-chloro-4-[2-(4-methylpiperazin-1-yl)ethyl]quinoline
SMILESCN1CCN(CCc2ccnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C16H20ClN3/c1-19-8-10-20(11-9-19)7-5-13-4-6-18-16-12-14(17)2-3-15(13)16/h2-4,6,12H,5,7-11H2,1H3
InChIKeyVZPQIAXPTJPPKL-UHFFFAOYSA-N
MW289.81 g/mol
LogP2.68
Rot. Bonds3

About 7-chloro-4-[2-(4-methylpiperazin-1-yl)ethyl]quinoline

7-chloro-4-[2-(4-methylpiperazin-1-yl)ethyl]quinoline (PubChem CID 123684098) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is 7-chloro-4-[2-(4-methylpiperazin-1-yl)ethyl]quinoline.

Molecular Properties

Compound Name7-chloro-4-[2-(4-methylpiperazin-1-yl)ethyl]quinoline
PubChem CID123684098
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC Name7-chloro-4-[2-(4-methylpiperazin-1-yl)ethyl]quinoline
SMILESCN1CCN(CCc2ccnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C16H20ClN3/c1-19-8-10-20(11-9-19)7-5-13-4-6-18-16-12-14(17)2-3-15(13)16/h2-4,6,12H,5,7-11H2,1H3
InChIKeyVZPQIAXPTJPPKL-UHFFFAOYSA-N
XLogP2.68
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-4-[4-[3-[4-[3-[4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl]piperazin-1-yl]propyl]piperazin-1-yl]propyl]piperazin-1-yl]quinoline
CID 11840452
7-chloro-N-[4-fluoro-3-[(4-methylpiperazin-1-yl)methyl]phenyl]quinolin-4-amine
CID 44572763
7-chloro-4-(2-methylpropyl)quinoline
CID 57147452
7-chloro-4-(cyclohexylmethyl)quinoline
CID 122374976
7-chloro-N-[4-(4-methylpiperazin-1-yl)but-2-ynyl]-N-pyrrol-1-ylquinolin-4-amine
CID 14724199
7-chloro-4-[4-(3-piperazin-1-ylpropyl)piperazin-1-yl]quinoline
CID 125340732
7-chloro-4-[4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl]piperazin-1-yl]quinoline;sulfuric acid
CID 53353641
4-(7-chloroquinolin-4-yl)butanal
CID 22120673
7-chloro-4-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]quinoline
CID 58513838
N-[3-[4-[3-(butylamino)propyl]piperazin-1-yl]propyl]-7-chloroquinolin-4-amine
CID 11112538
7-chloro-N-(1-propylpiperidin-4-yl)quinolin-4-amine
CID 60667072
1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propan-2-ol
CID 171975814

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-[2-(4-methylpiperazin-1-yl)ethyl]quinoline?
The IUPAC name of 7-chloro-4-[2-(4-methylpiperazin-1-yl)ethyl]quinoline (CID 123684098) is 7-chloro-4-[2-(4-methylpiperazin-1-yl)ethyl]quinoline.
What is the SMILES notation for 7-chloro-4-[2-(4-methylpiperazin-1-yl)ethyl]quinoline?
The canonical SMILES for 7-chloro-4-[2-(4-methylpiperazin-1-yl)ethyl]quinoline is CN1CCN(CCc2ccnc3cc(Cl)ccc23)CC1.
What is the InChIKey of 7-chloro-4-[2-(4-methylpiperazin-1-yl)ethyl]quinoline?
The InChIKey is VZPQIAXPTJPPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c1-19-8-10-20(11-9-19)7-5-13-4-6-18-16-12-14(17)2-3-15(13)16/h2-4,6,12H,5,7-11H2,1H3.
What are the key properties of 7-chloro-4-[2-(4-methylpiperazin-1-yl)ethyl]quinoline?
7-chloro-4-[2-(4-methylpiperazin-1-yl)ethyl]quinoline has a molecular weight of 289.81 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-[2-(4-methylpiperazin-1-yl)ethyl]quinoline is sourced from PubChem (CID 123684098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).