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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).