methyl 2-[4-(6-chloroquinolin-4-yl)piperazin-1-yl]acetate

C16H18ClN3O2 — CID 133333942

IUPACmethyl 2-[4-(6-chloroquinolin-4-yl)piperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(c2ccnc3ccc(Cl)cc23)CC1
InChIInChI=1S/C16H18ClN3O2/c1-22-16(21)11-19-6-8-20(9-7-19)15-4-5-18-14-3-2-12(17)10-13(14)15/h2-5,10H,6-9,11H2,1H3
InChIKeyHHRUWGGHKDZICP-UHFFFAOYSA-N
MW319.79 g/mol
LogP2.18
Rot. Bonds3

About methyl 2-[4-(6-chloroquinolin-4-yl)piperazin-1-yl]acetate

methyl 2-[4-(6-chloroquinolin-4-yl)piperazin-1-yl]acetate (PubChem CID 133333942) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is methyl 2-[4-(6-chloroquinolin-4-yl)piperazin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(6-chloroquinolin-4-yl)piperazin-1-yl]acetate
PubChem CID133333942
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC Namemethyl 2-[4-(6-chloroquinolin-4-yl)piperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(c2ccnc3ccc(Cl)cc23)CC1
InChIInChI=1S/C16H18ClN3O2/c1-22-16(21)11-19-6-8-20(9-7-19)15-4-5-18-14-3-2-12(17)10-13(14)15/h2-5,10H,6-9,11H2,1H3
InChIKeyHHRUWGGHKDZICP-UHFFFAOYSA-N
XLogP2.18
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[4-(6-chloroquinolin-4-yl)piperazin-1-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[4-(7-chloroquinolin-4-yl)-1,4-diazepan-1-yl]acetate
CID 133346351
4-(4-benzylpiperazin-1-yl)-6-chloroquinoline
CID 43840532
6-chloro-4-(4-propyl-1,4-diazepan-1-yl)quinoline
CID 133342671
1-(6-chloroquinolin-4-yl)piperidine-4-carboxylic acid
CID 71563708
4-(azepan-1-yl)-6-chloroquinoline
CID 110434360
2-[4-(6-methylquinolin-4-yl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 133467687
N,N-diethyl-2-[4-(6-methylquinolin-4-yl)piperazin-1-yl]acetamide
CID 133467701
1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propan-2-ol
CID 171975814
1-(6-chloroquinolin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 133356365
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-4-[4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl]piperazin-1-yl]quinoline;sulfuric acid
CID 53353641
5-[[4-(6-chloroquinolin-4-yl)-1,4-diazepan-1-yl]methyl]-3-(1-methoxyethyl)-1,2,4-oxadiazole
CID 133337609

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(6-chloroquinolin-4-yl)piperazin-1-yl]acetate?
The IUPAC name of methyl 2-[4-(6-chloroquinolin-4-yl)piperazin-1-yl]acetate (CID 133333942) is methyl 2-[4-(6-chloroquinolin-4-yl)piperazin-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-(6-chloroquinolin-4-yl)piperazin-1-yl]acetate?
The canonical SMILES for methyl 2-[4-(6-chloroquinolin-4-yl)piperazin-1-yl]acetate is COC(=O)CN1CCN(c2ccnc3ccc(Cl)cc23)CC1.
What is the InChIKey of methyl 2-[4-(6-chloroquinolin-4-yl)piperazin-1-yl]acetate?
The InChIKey is HHRUWGGHKDZICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c1-22-16(21)11-19-6-8-20(9-7-19)15-4-5-18-14-3-2-12(17)10-13(14)15/h2-5,10H,6-9,11H2,1H3.
What are the key properties of methyl 2-[4-(6-chloroquinolin-4-yl)piperazin-1-yl]acetate?
methyl 2-[4-(6-chloroquinolin-4-yl)piperazin-1-yl]acetate has a molecular weight of 319.79 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(6-chloroquinolin-4-yl)piperazin-1-yl]acetate is sourced from PubChem (CID 133333942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).