ethyl 6-ethoxy-4-piperazin-1-ylquinoline-3-carboxylate

C18H23N3O3 — CID 66487373

IUPACethyl 6-ethoxy-4-piperazin-1-ylquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(OCC)cc2c1N1CCNCC1
InChIInChI=1S/C18H23N3O3/c1-3-23-13-5-6-16-14(11-13)17(21-9-7-19-8-10-21)15(12-20-16)18(22)24-4-2/h5-6,11-12,19H,3-4,7-10H2,1-2H3
InChIKeyCZVQCZNXKOMHLF-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.22
Rot. Bonds5

About ethyl 6-ethoxy-4-piperazin-1-ylquinoline-3-carboxylate

ethyl 6-ethoxy-4-piperazin-1-ylquinoline-3-carboxylate (PubChem CID 66487373) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is ethyl 6-ethoxy-4-piperazin-1-ylquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-ethoxy-4-piperazin-1-ylquinoline-3-carboxylate
PubChem CID66487373
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Nameethyl 6-ethoxy-4-piperazin-1-ylquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(OCC)cc2c1N1CCNCC1
InChIInChI=1S/C18H23N3O3/c1-3-23-13-5-6-16-14(11-13)17(21-9-7-19-8-10-21)15(12-20-16)18(22)24-4-2/h5-6,11-12,19H,3-4,7-10H2,1-2H3
InChIKeyCZVQCZNXKOMHLF-UHFFFAOYSA-N
XLogP2.22
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 6-ethoxy-4-piperazin-1-ylquinoline-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-piperazin-1-ylquinoline-3-carboxylate
CID 13295826
ethyl 7-methoxy-4-piperazin-1-ylquinoline-3-carboxylate
CID 50877331
ethyl 6-ethoxy-4-(3-methylpiperidin-1-yl)quinoline-3-carboxylate
CID 4157109
ethyl 4-(4-ethyl-1,4-diazepan-1-yl)-6-methoxyquinoline-3-carboxylate
CID 133388687
ethyl 4-(3-hydroxy-3-methylpyrrolidin-1-yl)-6-methylquinoline-3-carboxylate
CID 133410698
ethyl 6-fluoro-4-[4-(1-hydroxyethyl)piperidin-1-yl]quinoline-3-carboxylate
CID 133388780
ethyl 4-[3-(1-hydroxyethyl)piperidin-1-yl]-6-methoxyquinoline-3-carboxylate
CID 133397813
ethyl 4-thiomorpholin-4-ylquinoline-3-carboxylate
CID 52805665
ethyl 4-(cyclohexylamino)-6-ethoxyquinoline-3-carboxylate
CID 696570
ethyl 6-ethoxy-4-[[(2S)-2-hydroxypropyl]amino]quinoline-3-carboxylate
CID 705522
1-(3-ethoxycarbonylquinolin-4-yl)piperidine-4-carboxylic acid
CID 122047501
ethyl 4-[benzyl(methyl)amino]-6-ethoxyquinoline-3-carboxylate
CID 6621000

Frequently Asked Questions

What is the IUPAC name of ethyl 6-ethoxy-4-piperazin-1-ylquinoline-3-carboxylate?
The IUPAC name of ethyl 6-ethoxy-4-piperazin-1-ylquinoline-3-carboxylate (CID 66487373) is ethyl 6-ethoxy-4-piperazin-1-ylquinoline-3-carboxylate.
What is the SMILES notation for ethyl 6-ethoxy-4-piperazin-1-ylquinoline-3-carboxylate?
The canonical SMILES for ethyl 6-ethoxy-4-piperazin-1-ylquinoline-3-carboxylate is CCOC(=O)c1cnc2ccc(OCC)cc2c1N1CCNCC1.
What is the InChIKey of ethyl 6-ethoxy-4-piperazin-1-ylquinoline-3-carboxylate?
The InChIKey is CZVQCZNXKOMHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-3-23-13-5-6-16-14(11-13)17(21-9-7-19-8-10-21)15(12-20-16)18(22)24-4-2/h5-6,11-12,19H,3-4,7-10H2,1-2H3.
What are the key properties of ethyl 6-ethoxy-4-piperazin-1-ylquinoline-3-carboxylate?
ethyl 6-ethoxy-4-piperazin-1-ylquinoline-3-carboxylate has a molecular weight of 329.40 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-ethoxy-4-piperazin-1-ylquinoline-3-carboxylate is sourced from PubChem (CID 66487373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).