2-(5-chloro-8-piperidin-1-ylquinolin-7-yl)ethanamine

C16H20ClN3 — CID 173056499

IUPAC2-(5-chloro-8-piperidin-1-ylquinolin-7-yl)ethanamine
SMILESNCCc1cc(Cl)c2cccnc2c1N1CCCCC1
InChIInChI=1S/C16H20ClN3/c17-14-11-12(6-7-18)16(20-9-2-1-3-10-20)15-13(14)5-4-8-19-15/h4-5,8,11H,1-3,6-7,9-10,18H2
InChIKeyKQDYSHSDRKXGJV-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.38
Rot. Bonds3

About 2-(5-chloro-8-piperidin-1-ylquinolin-7-yl)ethanamine

2-(5-chloro-8-piperidin-1-ylquinolin-7-yl)ethanamine (PubChem CID 173056499) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is 2-(5-chloro-8-piperidin-1-ylquinolin-7-yl)ethanamine.

Molecular Properties

Compound Name2-(5-chloro-8-piperidin-1-ylquinolin-7-yl)ethanamine
PubChem CID173056499
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC Name2-(5-chloro-8-piperidin-1-ylquinolin-7-yl)ethanamine
SMILESNCCc1cc(Cl)c2cccnc2c1N1CCCCC1
InChIInChI=1S/C16H20ClN3/c17-14-11-12(6-7-18)16(20-9-2-1-3-10-20)15-13(14)5-4-8-19-15/h4-5,8,11H,1-3,6-7,9-10,18H2
InChIKeyKQDYSHSDRKXGJV-UHFFFAOYSA-N
XLogP3.38
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-chloro-8-(3-methoxypiperidin-1-yl)quinolin-7-yl]ethanamine
CID 67247130
1-[7-(2-aminoethyl)-5-chloroquinolin-8-yl]-4-phenylpiperidin-4-ol
CID 67248520
[4-[7-(2-aminoethyl)-5-chloroquinolin-8-yl]piperazin-1-yl]-phenylmethanone
CID 67247122
[4-[7-(2-aminoethyl)-5-chloroquinolin-8-yl]piperazin-1-yl]-(4-fluorophenyl)methanone
CID 67247043
[4-[7-(2-aminoethyl)-5-chloroquinolin-8-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 67247481
[4-[7-(2-aminoethyl)-5-chloroquinolin-8-yl]piperazin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 67247684
5-chloro-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
CID 716609
2-[4-[7-(1-aminoethyl)-5-chloroquinolin-8-yl]piperazin-1-yl]ethanol
CID 67301551
5-chloro-8-[4-(2-hydroxyethyl)piperazin-1-yl]quinoline-7-carboxamide
CID 58368629
2-[5-chloro-8-[4-(pyridine-3-carbonyl)piperazin-1-yl]quinolin-7-yl]acetaldehyde
CID 87323983
12-chloro-9-piperidin-1-yl-5H-quinolino[8,7-c][1,2]benzothiazine
CID 126516646
5-chloro-8-(pyridin-2-ylmethoxy)-7-(pyrrolidin-1-ylmethyl)quinoline
CID 4702087

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-8-piperidin-1-ylquinolin-7-yl)ethanamine?
The IUPAC name of 2-(5-chloro-8-piperidin-1-ylquinolin-7-yl)ethanamine (CID 173056499) is 2-(5-chloro-8-piperidin-1-ylquinolin-7-yl)ethanamine.
What is the SMILES notation for 2-(5-chloro-8-piperidin-1-ylquinolin-7-yl)ethanamine?
The canonical SMILES for 2-(5-chloro-8-piperidin-1-ylquinolin-7-yl)ethanamine is NCCc1cc(Cl)c2cccnc2c1N1CCCCC1.
What is the InChIKey of 2-(5-chloro-8-piperidin-1-ylquinolin-7-yl)ethanamine?
The InChIKey is KQDYSHSDRKXGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c17-14-11-12(6-7-18)16(20-9-2-1-3-10-20)15-13(14)5-4-8-19-15/h4-5,8,11H,1-3,6-7,9-10,18H2.
What are the key properties of 2-(5-chloro-8-piperidin-1-ylquinolin-7-yl)ethanamine?
2-(5-chloro-8-piperidin-1-ylquinolin-7-yl)ethanamine has a molecular weight of 289.81 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-8-piperidin-1-ylquinolin-7-yl)ethanamine is sourced from PubChem (CID 173056499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).