2-[5-chloro-8-(3-methoxypiperidin-1-yl)quinolin-7-yl]ethanamine

C17H22ClN3O — CID 67247130

IUPAC2-[5-chloro-8-(3-methoxypiperidin-1-yl)quinolin-7-yl]ethanamine
SMILESCOC1CCCN(c2c(CCN)cc(Cl)c3cccnc23)C1
InChIInChI=1S/C17H22ClN3O/c1-22-13-4-3-9-21(11-13)17-12(6-7-19)10-15(18)14-5-2-8-20-16(14)17/h2,5,8,10,13H,3-4,6-7,9,11,19H2,1H3
InChIKeyIIMUKPVQUFNMFT-UHFFFAOYSA-N
MW319.84 g/mol
LogP3.00
Rot. Bonds4

About 2-[5-chloro-8-(3-methoxypiperidin-1-yl)quinolin-7-yl]ethanamine

2-[5-chloro-8-(3-methoxypiperidin-1-yl)quinolin-7-yl]ethanamine (PubChem CID 67247130) has the molecular formula C17H22ClN3O and a molecular weight of 319.84 g/mol. Its IUPAC name is 2-[5-chloro-8-(3-methoxypiperidin-1-yl)quinolin-7-yl]ethanamine.

Molecular Properties

Compound Name2-[5-chloro-8-(3-methoxypiperidin-1-yl)quinolin-7-yl]ethanamine
PubChem CID67247130
Molecular FormulaC17H22ClN3O
Molecular Weight319.84 g/mol
Exact Mass319.15
IUPAC Name2-[5-chloro-8-(3-methoxypiperidin-1-yl)quinolin-7-yl]ethanamine
SMILESCOC1CCCN(c2c(CCN)cc(Cl)c3cccnc23)C1
InChIInChI=1S/C17H22ClN3O/c1-22-13-4-3-9-21(11-13)17-12(6-7-19)10-15(18)14-5-2-8-20-16(14)17/h2,5,8,10,13H,3-4,6-7,9,11,19H2,1H3
InChIKeyIIMUKPVQUFNMFT-UHFFFAOYSA-N
XLogP3.00
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.84
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-8-(3-methoxypiperidin-1-yl)quinolin-7-yl]ethanamine?
The IUPAC name of 2-[5-chloro-8-(3-methoxypiperidin-1-yl)quinolin-7-yl]ethanamine (CID 67247130) is 2-[5-chloro-8-(3-methoxypiperidin-1-yl)quinolin-7-yl]ethanamine.
What is the SMILES notation for 2-[5-chloro-8-(3-methoxypiperidin-1-yl)quinolin-7-yl]ethanamine?
The canonical SMILES for 2-[5-chloro-8-(3-methoxypiperidin-1-yl)quinolin-7-yl]ethanamine is COC1CCCN(c2c(CCN)cc(Cl)c3cccnc23)C1.
What is the InChIKey of 2-[5-chloro-8-(3-methoxypiperidin-1-yl)quinolin-7-yl]ethanamine?
The InChIKey is IIMUKPVQUFNMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O/c1-22-13-4-3-9-21(11-13)17-12(6-7-19)10-15(18)14-5-2-8-20-16(14)17/h2,5,8,10,13H,3-4,6-7,9,11,19H2,1H3.
What are the key properties of 2-[5-chloro-8-(3-methoxypiperidin-1-yl)quinolin-7-yl]ethanamine?
2-[5-chloro-8-(3-methoxypiperidin-1-yl)quinolin-7-yl]ethanamine has a molecular weight of 319.84 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-8-(3-methoxypiperidin-1-yl)quinolin-7-yl]ethanamine is sourced from PubChem (CID 67247130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).