ethyl 4-(4-pyridin-4-ylpiperazin-1-yl)quinoline-3-carboxylate

C21H22N4O2 — CID 133277711

IUPACethyl 4-(4-pyridin-4-ylpiperazin-1-yl)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccccc2c1N1CCN(c2ccncc2)CC1
InChIInChI=1S/C21H22N4O2/c1-2-27-21(26)18-15-23-19-6-4-3-5-17(19)20(18)25-13-11-24(12-14-25)16-7-9-22-10-8-16/h3-10,15H,2,11-14H2,1H3
InChIKeyWSLOQLMZAOOLQD-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.13
Rot. Bonds4

About ethyl 4-(4-pyridin-4-ylpiperazin-1-yl)quinoline-3-carboxylate

ethyl 4-(4-pyridin-4-ylpiperazin-1-yl)quinoline-3-carboxylate (PubChem CID 133277711) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is ethyl 4-(4-pyridin-4-ylpiperazin-1-yl)quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-pyridin-4-ylpiperazin-1-yl)quinoline-3-carboxylate
PubChem CID133277711
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Nameethyl 4-(4-pyridin-4-ylpiperazin-1-yl)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccccc2c1N1CCN(c2ccncc2)CC1
InChIInChI=1S/C21H22N4O2/c1-2-27-21(26)18-15-23-19-6-4-3-5-17(19)20(18)25-13-11-24(12-14-25)16-7-9-22-10-8-16/h3-10,15H,2,11-14H2,1H3
InChIKeyWSLOQLMZAOOLQD-UHFFFAOYSA-N
XLogP3.13
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-thiomorpholin-4-ylquinoline-3-carboxylate
CID 52805665
ethyl 4-piperazin-1-ylquinoline-3-carboxylate
CID 13295826
1-(3-ethoxycarbonylquinolin-4-yl)piperidine-4-carboxylic acid
CID 122047501
ethyl 4-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]quinoline-3-carboxylate
CID 133476406
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 4-[4-(2-methylpropyl)-3-oxopiperazin-1-yl]quinoline-3-carboxylate
CID 133498568
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-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]piperidin-1-yl]quinoline-3-carboxylate
CID 133305532
ethane;ethyl 4-aminoquinoline-3-carboxylate
CID 143157176

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-pyridin-4-ylpiperazin-1-yl)quinoline-3-carboxylate?
The IUPAC name of ethyl 4-(4-pyridin-4-ylpiperazin-1-yl)quinoline-3-carboxylate (CID 133277711) is ethyl 4-(4-pyridin-4-ylpiperazin-1-yl)quinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-(4-pyridin-4-ylpiperazin-1-yl)quinoline-3-carboxylate?
The canonical SMILES for ethyl 4-(4-pyridin-4-ylpiperazin-1-yl)quinoline-3-carboxylate is CCOC(=O)c1cnc2ccccc2c1N1CCN(c2ccncc2)CC1.
What is the InChIKey of ethyl 4-(4-pyridin-4-ylpiperazin-1-yl)quinoline-3-carboxylate?
The InChIKey is WSLOQLMZAOOLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-2-27-21(26)18-15-23-19-6-4-3-5-17(19)20(18)25-13-11-24(12-14-25)16-7-9-22-10-8-16/h3-10,15H,2,11-14H2,1H3.
What are the key properties of ethyl 4-(4-pyridin-4-ylpiperazin-1-yl)quinoline-3-carboxylate?
ethyl 4-(4-pyridin-4-ylpiperazin-1-yl)quinoline-3-carboxylate has a molecular weight of 362.43 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-pyridin-4-ylpiperazin-1-yl)quinoline-3-carboxylate is sourced from PubChem (CID 133277711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).