ethyl 1-(6-methoxyquinolin-2-yl)piperidine-4-carboxylate

C18H22N2O3 — CID 141431671

IUPACethyl 1-(6-methoxyquinolin-2-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2ccc3cc(OC)ccc3n2)CC1
InChIInChI=1S/C18H22N2O3/c1-3-23-18(21)13-8-10-20(11-9-13)17-7-4-14-12-15(22-2)5-6-16(14)19-17/h4-7,12-13H,3,8-11H2,1-2H3
InChIKeyUUGOIPAJUFGGQU-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.02
Rot. Bonds4

About ethyl 1-(6-methoxyquinolin-2-yl)piperidine-4-carboxylate

ethyl 1-(6-methoxyquinolin-2-yl)piperidine-4-carboxylate (PubChem CID 141431671) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is ethyl 1-(6-methoxyquinolin-2-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(6-methoxyquinolin-2-yl)piperidine-4-carboxylate
PubChem CID141431671
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Nameethyl 1-(6-methoxyquinolin-2-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2ccc3cc(OC)ccc3n2)CC1
InChIInChI=1S/C18H22N2O3/c1-3-23-18(21)13-8-10-20(11-9-13)17-7-4-14-12-15(22-2)5-6-16(14)19-17/h4-7,12-13H,3,8-11H2,1-2H3
InChIKeyUUGOIPAJUFGGQU-UHFFFAOYSA-N
XLogP3.02
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(6-methoxy-4-methylquinolin-2-yl)piperidine-4-carboxylate
CID 2852074
ethyl 1-(6-pyridin-4-ylquinolin-2-yl)piperidine-4-carboxylate;hydrochloride
CID 156801017
ethyl 1-[6-[3-(trifluoromethyl)phenyl]quinolin-2-yl]piperidine-4-carboxylate
CID 156537969
6-methoxy-2-piperidin-1-ylquinoline
CID 143398989
ethyl 1-[6-(1-benzothiophen-2-yl)quinolin-2-yl]piperidine-4-carboxylate
CID 156558103
ethyl 1-(5-chloro-6-methyl-2-pyridinyl)piperidine-4-carboxylate
CID 170716467
N-cyclobutyl-2-[1-(6-methoxyquinolin-2-yl)piperidin-4-yl]acetamide
CID 172881536
6-amino-2-(4-ethoxycarbonylpiperidin-1-yl)quinoline-4-carboxylic acid
CID 50806111
2-(4-cyclopropylpiperazin-1-yl)-6-methoxyquinoline;dihydrochloride
CID 11302721
N-cyclopropyl-1-(6-methoxyquinolin-2-yl)azetidine-3-carboxamide
CID 171328605
ethyl 1-[6-(4-methylphenoxy)pyrimidin-4-yl]piperidine-4-carboxylate
CID 42806339
6-chloro-2-(4-ethoxycarbonylpiperidin-1-yl)quinoline-5-carboxylic acid;2,6-dichloroquinoline-5-carboxylic acid
CID 160563241

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(6-methoxyquinolin-2-yl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(6-methoxyquinolin-2-yl)piperidine-4-carboxylate (CID 141431671) is ethyl 1-(6-methoxyquinolin-2-yl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(6-methoxyquinolin-2-yl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(6-methoxyquinolin-2-yl)piperidine-4-carboxylate is CCOC(=O)C1CCN(c2ccc3cc(OC)ccc3n2)CC1.
What is the InChIKey of ethyl 1-(6-methoxyquinolin-2-yl)piperidine-4-carboxylate?
The InChIKey is UUGOIPAJUFGGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-3-23-18(21)13-8-10-20(11-9-13)17-7-4-14-12-15(22-2)5-6-16(14)19-17/h4-7,12-13H,3,8-11H2,1-2H3.
What are the key properties of ethyl 1-(6-methoxyquinolin-2-yl)piperidine-4-carboxylate?
ethyl 1-(6-methoxyquinolin-2-yl)piperidine-4-carboxylate has a molecular weight of 314.39 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(6-methoxyquinolin-2-yl)piperidine-4-carboxylate is sourced from PubChem (CID 141431671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).