ethyl 1-(6-pyridin-4-ylquinolin-2-yl)piperidine-4-carboxylate;hydrochloride

C22H24ClN3O2 — CID 156801017

IUPACethyl 1-(6-pyridin-4-ylquinolin-2-yl)piperidine-4-carboxylate;hydrochloride
SMILESCCOC(=O)C1CCN(c2ccc3cc(-c4ccncc4)ccc3n2)CC1.Cl
InChIInChI=1S/C22H23N3O2.ClH/c1-2-27-22(26)17-9-13-25(14-10-17)21-6-4-19-15-18(3-5-20(19)24-21)16-7-11-23-12-8-16;/h3-8,11-12,15,17H,2,9-10,13-14H2,1H3;1H
InChIKeyILWDQEKWYNFFBK-UHFFFAOYSA-N
MW397.91 g/mol
LogP4.50
Rot. Bonds4

About ethyl 1-(6-pyridin-4-ylquinolin-2-yl)piperidine-4-carboxylate;hydrochloride

ethyl 1-(6-pyridin-4-ylquinolin-2-yl)piperidine-4-carboxylate;hydrochloride (PubChem CID 156801017) has the molecular formula C22H24ClN3O2 and a molecular weight of 397.91 g/mol. Its IUPAC name is ethyl 1-(6-pyridin-4-ylquinolin-2-yl)piperidine-4-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 1-(6-pyridin-4-ylquinolin-2-yl)piperidine-4-carboxylate;hydrochloride
PubChem CID156801017
Molecular FormulaC22H24ClN3O2
Molecular Weight397.91 g/mol
Exact Mass397.16
IUPAC Nameethyl 1-(6-pyridin-4-ylquinolin-2-yl)piperidine-4-carboxylate;hydrochloride
SMILESCCOC(=O)C1CCN(c2ccc3cc(-c4ccncc4)ccc3n2)CC1.Cl
InChIInChI=1S/C22H23N3O2.ClH/c1-2-27-22(26)17-9-13-25(14-10-17)21-6-4-19-15-18(3-5-20(19)24-21)16-7-11-23-12-8-16;/h3-8,11-12,15,17H,2,9-10,13-14H2,1H3;1H
InChIKeyILWDQEKWYNFFBK-UHFFFAOYSA-N
XLogP4.50
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[6-[3-(trifluoromethyl)phenyl]quinolin-2-yl]piperidine-4-carboxylate
CID 156537969
ethyl 1-(6-methoxyquinolin-2-yl)piperidine-4-carboxylate
CID 141431671
ethyl 1-[6-(1-benzothiophen-2-yl)quinolin-2-yl]piperidine-4-carboxylate
CID 156558103
ethyl 1-(4-amino-2-pyridinyl)piperidine-4-carboxylate
CID 68568819
ethyl 1-(5-chloro-6-methyl-2-pyridinyl)piperidine-4-carboxylate
CID 170716467
6-amino-2-(4-ethoxycarbonylpiperidin-1-yl)quinoline-4-carboxylic acid
CID 50806111
1-(6-pyrimidin-5-ylquinolin-2-yl)piperidine-4-carbonyl chloride
CID 172635376
1-[6-(4-chloro-3-methoxyphenyl)quinolin-2-yl]piperidine-4-carboxylic acid
CID 174215034
ethyl 1-[6-(methylamino)pyrimidin-4-yl]piperidine-4-carboxylate
CID 122281740
ethyl 1-(6-methoxy-4-methylquinolin-2-yl)piperidine-4-carboxylate
CID 2852074
2,6-dichloroquinolin-5-amine;ethyl 1-(5-amino-6-chloroquinolin-2-yl)piperidine-4-carboxylate
CID 158633521
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-pyridin-4-ylquinolin-2-yl)piperidine-4-carboxylate;hydrochloride?
The IUPAC name of ethyl 1-(6-pyridin-4-ylquinolin-2-yl)piperidine-4-carboxylate;hydrochloride (CID 156801017) is ethyl 1-(6-pyridin-4-ylquinolin-2-yl)piperidine-4-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 1-(6-pyridin-4-ylquinolin-2-yl)piperidine-4-carboxylate;hydrochloride?
The canonical SMILES for ethyl 1-(6-pyridin-4-ylquinolin-2-yl)piperidine-4-carboxylate;hydrochloride is CCOC(=O)C1CCN(c2ccc3cc(-c4ccncc4)ccc3n2)CC1.Cl.
What is the InChIKey of ethyl 1-(6-pyridin-4-ylquinolin-2-yl)piperidine-4-carboxylate;hydrochloride?
The InChIKey is ILWDQEKWYNFFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2.ClH/c1-2-27-22(26)17-9-13-25(14-10-17)21-6-4-19-15-18(3-5-20(19)24-21)16-7-11-23-12-8-16;/h3-8,11-12,15,17H,2,9-10,13-14H2,1H3;1H.
What are the key properties of ethyl 1-(6-pyridin-4-ylquinolin-2-yl)piperidine-4-carboxylate;hydrochloride?
ethyl 1-(6-pyridin-4-ylquinolin-2-yl)piperidine-4-carboxylate;hydrochloride has a molecular weight of 397.91 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(6-pyridin-4-ylquinolin-2-yl)piperidine-4-carboxylate;hydrochloride is sourced from PubChem (CID 156801017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).