ethyl 4-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]quinoline-3-carboxylate

C21H24N4O2S — CID 133476406

IUPACethyl 4-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccccc2c1N1CCN(C(C)c2nccs2)CC1
InChIInChI=1S/C21H24N4O2S/c1-3-27-21(26)17-14-23-18-7-5-4-6-16(18)19(17)25-11-9-24(10-12-25)15(2)20-22-8-13-28-20/h4-8,13-15H,3,9-12H2,1-2H3
InChIKeyQUXIJBFSFOXGRP-UHFFFAOYSA-N
MW396.52 g/mol
LogP3.75
Rot. Bonds5

About ethyl 4-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]quinoline-3-carboxylate

ethyl 4-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]quinoline-3-carboxylate (PubChem CID 133476406) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is ethyl 4-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]quinoline-3-carboxylate
PubChem CID133476406
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC Nameethyl 4-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccccc2c1N1CCN(C(C)c2nccs2)CC1
InChIInChI=1S/C21H24N4O2S/c1-3-27-21(26)17-14-23-18-7-5-4-6-16(18)19(17)25-11-9-24(10-12-25)15(2)20-22-8-13-28-20/h4-8,13-15H,3,9-12H2,1-2H3
InChIKeyQUXIJBFSFOXGRP-UHFFFAOYSA-N
XLogP3.75
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]quinoline-3-carboxylate 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 4-thiomorpholin-4-ylquinoline-3-carboxylate
CID 52805665
ethyl 4-(4-pyridin-4-ylpiperazin-1-yl)quinoline-3-carboxylate
CID 133277711
ethyl 4-piperazin-1-ylquinoline-3-carboxylate
CID 13295826
1-(3-ethoxycarbonylquinolin-4-yl)piperidine-4-carboxylic acid
CID 122047501
ethyl 4-[4-(2-methylpropyl)-3-oxopiperazin-1-yl]quinoline-3-carboxylate
CID 133498568
ethyl 4-[(3aR,5S,6S,7aS)-5,6-dihydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]quinoline-3-carboxylate
CID 56861128
ethyl 4-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]quinoline-3-carboxylate
CID 133334798
ethyl 7-[4-(2-methoxyphenyl)piperazin-1-yl]thieno[3,2-b]pyridine-6-carboxylate
CID 162661401
ethyl 4-[4-(phenylcarbamoyl)piperidin-1-yl]quinoline-3-carboxylate
CID 49428479
ethyl 2-[4-(3-cyanoquinolin-4-yl)piperazin-1-yl]pyridine-3-carboxylate
CID 133469370
ethyl 4-[4-[(2-fluorobenzoyl)amino]piperidin-1-yl]quinoline-3-carboxylate
CID 133277748
ethyl 4-(2-morpholin-4-ylpropylamino)quinoline-3-carboxylate
CID 133277740

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]quinoline-3-carboxylate?
The IUPAC name of ethyl 4-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]quinoline-3-carboxylate (CID 133476406) is ethyl 4-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]quinoline-3-carboxylate?
The canonical SMILES for ethyl 4-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]quinoline-3-carboxylate is CCOC(=O)c1cnc2ccccc2c1N1CCN(C(C)c2nccs2)CC1.
What is the InChIKey of ethyl 4-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]quinoline-3-carboxylate?
The InChIKey is QUXIJBFSFOXGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S/c1-3-27-21(26)17-14-23-18-7-5-4-6-16(18)19(17)25-11-9-24(10-12-25)15(2)20-22-8-13-28-20/h4-8,13-15H,3,9-12H2,1-2H3.
What are the key properties of ethyl 4-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]quinoline-3-carboxylate?
ethyl 4-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]quinoline-3-carboxylate has a molecular weight of 396.52 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]quinoline-3-carboxylate is sourced from PubChem (CID 133476406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).