ethyl 4-piperazin-1-ylquinoline-3-carboxylate

C16H19N3O2 — CID 13295826

IUPACethyl 4-piperazin-1-ylquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccccc2c1N1CCNCC1
InChIInChI=1S/C16H19N3O2/c1-2-21-16(20)13-11-18-14-6-4-3-5-12(14)15(13)19-9-7-17-8-10-19/h3-6,11,17H,2,7-10H2,1H3
InChIKeyKTHHOWRYNOAVOE-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.82
Rot. Bonds3

About ethyl 4-piperazin-1-ylquinoline-3-carboxylate

ethyl 4-piperazin-1-ylquinoline-3-carboxylate (PubChem CID 13295826) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is ethyl 4-piperazin-1-ylquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-piperazin-1-ylquinoline-3-carboxylate
PubChem CID13295826
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Nameethyl 4-piperazin-1-ylquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccccc2c1N1CCNCC1
InChIInChI=1S/C16H19N3O2/c1-2-21-16(20)13-11-18-14-6-4-3-5-12(14)15(13)19-9-7-17-8-10-19/h3-6,11,17H,2,7-10H2,1H3
InChIKeyKTHHOWRYNOAVOE-UHFFFAOYSA-N
XLogP1.82
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-thiomorpholin-4-ylquinoline-3-carboxylate
CID 52805665
ethyl 6-ethoxy-4-piperazin-1-ylquinoline-3-carboxylate
CID 66487373
1-(3-ethoxycarbonylquinolin-4-yl)piperidine-4-carboxylic acid
CID 122047501
ethyl 7-methoxy-4-piperazin-1-ylquinoline-3-carboxylate
CID 50877331
ethyl 4-(4-pyridin-4-ylpiperazin-1-yl)quinoline-3-carboxylate
CID 133277711
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-(phenylcarbamoyl)piperidin-1-yl]quinoline-3-carboxylate
CID 49428479
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-[(2-fluorobenzoyl)amino]piperidin-1-yl]quinoline-3-carboxylate
CID 133277748
ethyl 4-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]quinoline-3-carboxylate
CID 133476406
ethyl 4-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]piperidin-1-yl]quinoline-3-carboxylate
CID 133305532

Frequently Asked Questions

What is the IUPAC name of ethyl 4-piperazin-1-ylquinoline-3-carboxylate?
The IUPAC name of ethyl 4-piperazin-1-ylquinoline-3-carboxylate (CID 13295826) is ethyl 4-piperazin-1-ylquinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-piperazin-1-ylquinoline-3-carboxylate?
The canonical SMILES for ethyl 4-piperazin-1-ylquinoline-3-carboxylate is CCOC(=O)c1cnc2ccccc2c1N1CCNCC1.
What is the InChIKey of ethyl 4-piperazin-1-ylquinoline-3-carboxylate?
The InChIKey is KTHHOWRYNOAVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-2-21-16(20)13-11-18-14-6-4-3-5-12(14)15(13)19-9-7-17-8-10-19/h3-6,11,17H,2,7-10H2,1H3.
What are the key properties of ethyl 4-piperazin-1-ylquinoline-3-carboxylate?
ethyl 4-piperazin-1-ylquinoline-3-carboxylate has a molecular weight of 285.35 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-piperazin-1-ylquinoline-3-carboxylate is sourced from PubChem (CID 13295826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).