ethyl 6-ethoxy-4-(3-methylpiperidin-1-yl)quinoline-3-carboxylate

C20H26N2O3 — CID 4157109

IUPACethyl 6-ethoxy-4-(3-methylpiperidin-1-yl)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(OCC)cc2c1N1CCCC(C)C1
InChIInChI=1S/C20H26N2O3/c1-4-24-15-8-9-18-16(11-15)19(22-10-6-7-14(3)13-22)17(12-21-18)20(23)25-5-2/h8-9,11-12,14H,4-7,10,13H2,1-3H3
InChIKeyFDTKVDVIFLOTKD-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.05
Rot. Bonds5

About ethyl 6-ethoxy-4-(3-methylpiperidin-1-yl)quinoline-3-carboxylate

ethyl 6-ethoxy-4-(3-methylpiperidin-1-yl)quinoline-3-carboxylate (PubChem CID 4157109) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is ethyl 6-ethoxy-4-(3-methylpiperidin-1-yl)quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-ethoxy-4-(3-methylpiperidin-1-yl)quinoline-3-carboxylate
PubChem CID4157109
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Nameethyl 6-ethoxy-4-(3-methylpiperidin-1-yl)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(OCC)cc2c1N1CCCC(C)C1
InChIInChI=1S/C20H26N2O3/c1-4-24-15-8-9-18-16(11-15)19(22-10-6-7-14(3)13-22)17(12-21-18)20(23)25-5-2/h8-9,11-12,14H,4-7,10,13H2,1-3H3
InChIKeyFDTKVDVIFLOTKD-UHFFFAOYSA-N
XLogP4.05
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-ethoxy-4-piperazin-1-ylquinoline-3-carboxylate
CID 66487373
ethyl 4-[3-(1-hydroxyethyl)piperidin-1-yl]-6-methoxyquinoline-3-carboxylate
CID 133397813
6-ethoxy-3-(4-methoxyphenyl)sulfonyl-4-(3-methylpiperidin-1-yl)quinoline
CID 18559858
ethyl 4-(4-ethyl-1,4-diazepan-1-yl)-6-methoxyquinoline-3-carboxylate
CID 133388687
ethyl 4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-6-methylquinoline-3-carboxylate
CID 133448316
ethyl 4-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-6-methylquinoline-3-carboxylate
CID 133384480
ethyl 4-(cyclohexylamino)-6-ethoxyquinoline-3-carboxylate
CID 696570
ethyl 6-methyl-4-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline-3-carboxylate
CID 133448811
ethyl (3S)-1-[6-ethoxy-3-(4-methoxyphenyl)sulfonylquinolin-4-yl]piperidine-3-carboxylate
CID 28902423
ethyl 6-fluoro-4-[4-(1-hydroxyethyl)piperidin-1-yl]quinoline-3-carboxylate
CID 133388780
ethyl 1-[3-(3,4-dimethylphenyl)sulfonyl-6-ethoxyquinolin-4-yl]piperidine-3-carboxylate
CID 18559744
ethyl 4-(3-hydroxy-3-methylpyrrolidin-1-yl)-6-methylquinoline-3-carboxylate
CID 133410698

Frequently Asked Questions

What is the IUPAC name of ethyl 6-ethoxy-4-(3-methylpiperidin-1-yl)quinoline-3-carboxylate?
The IUPAC name of ethyl 6-ethoxy-4-(3-methylpiperidin-1-yl)quinoline-3-carboxylate (CID 4157109) is ethyl 6-ethoxy-4-(3-methylpiperidin-1-yl)quinoline-3-carboxylate.
What is the SMILES notation for ethyl 6-ethoxy-4-(3-methylpiperidin-1-yl)quinoline-3-carboxylate?
The canonical SMILES for ethyl 6-ethoxy-4-(3-methylpiperidin-1-yl)quinoline-3-carboxylate is CCOC(=O)c1cnc2ccc(OCC)cc2c1N1CCCC(C)C1.
What is the InChIKey of ethyl 6-ethoxy-4-(3-methylpiperidin-1-yl)quinoline-3-carboxylate?
The InChIKey is FDTKVDVIFLOTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-4-24-15-8-9-18-16(11-15)19(22-10-6-7-14(3)13-22)17(12-21-18)20(23)25-5-2/h8-9,11-12,14H,4-7,10,13H2,1-3H3.
What are the key properties of ethyl 6-ethoxy-4-(3-methylpiperidin-1-yl)quinoline-3-carboxylate?
ethyl 6-ethoxy-4-(3-methylpiperidin-1-yl)quinoline-3-carboxylate has a molecular weight of 342.44 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-ethoxy-4-(3-methylpiperidin-1-yl)quinoline-3-carboxylate is sourced from PubChem (CID 4157109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).