5-chloro-N-[1-(1-methylpiperidin-3-yl)ethyl]quinolin-8-amine

C17H22ClN3 — CID 60927567

IUPAC5-chloro-N-[1-(1-methylpiperidin-3-yl)ethyl]quinolin-8-amine
SMILESCC(Nc1ccc(Cl)c2cccnc12)C1CCCN(C)C1
InChIInChI=1S/C17H22ClN3/c1-12(13-5-4-10-21(2)11-13)20-16-8-7-15(18)14-6-3-9-19-17(14)16/h3,6-9,12-13,20H,4-5,10-11H2,1-2H3
InChIKeyNCXGAQMFBUJNJG-UHFFFAOYSA-N
MW303.84 g/mol
LogP4.03
Rot. Bonds3

About 5-chloro-N-[1-(1-methylpiperidin-3-yl)ethyl]quinolin-8-amine

5-chloro-N-[1-(1-methylpiperidin-3-yl)ethyl]quinolin-8-amine (PubChem CID 60927567) has the molecular formula C17H22ClN3 and a molecular weight of 303.84 g/mol. Its IUPAC name is 5-chloro-N-[1-(1-methylpiperidin-3-yl)ethyl]quinolin-8-amine.

Molecular Properties

Compound Name5-chloro-N-[1-(1-methylpiperidin-3-yl)ethyl]quinolin-8-amine
PubChem CID60927567
Molecular FormulaC17H22ClN3
Molecular Weight303.84 g/mol
Exact Mass303.15
IUPAC Name5-chloro-N-[1-(1-methylpiperidin-3-yl)ethyl]quinolin-8-amine
SMILESCC(Nc1ccc(Cl)c2cccnc12)C1CCCN(C)C1
InChIInChI=1S/C17H22ClN3/c1-12(13-5-4-10-21(2)11-13)20-16-8-7-15(18)14-6-3-9-19-17(14)16/h3,6-9,12-13,20H,4-5,10-11H2,1-2H3
InChIKeyNCXGAQMFBUJNJG-UHFFFAOYSA-N
XLogP4.03
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.84
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(1-methylpiperidin-3-yl)ethyl]quinolin-8-amine?
The IUPAC name of 5-chloro-N-[1-(1-methylpiperidin-3-yl)ethyl]quinolin-8-amine (CID 60927567) is 5-chloro-N-[1-(1-methylpiperidin-3-yl)ethyl]quinolin-8-amine.
What is the SMILES notation for 5-chloro-N-[1-(1-methylpiperidin-3-yl)ethyl]quinolin-8-amine?
The canonical SMILES for 5-chloro-N-[1-(1-methylpiperidin-3-yl)ethyl]quinolin-8-amine is CC(Nc1ccc(Cl)c2cccnc12)C1CCCN(C)C1.
What is the InChIKey of 5-chloro-N-[1-(1-methylpiperidin-3-yl)ethyl]quinolin-8-amine?
The InChIKey is NCXGAQMFBUJNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3/c1-12(13-5-4-10-21(2)11-13)20-16-8-7-15(18)14-6-3-9-19-17(14)16/h3,6-9,12-13,20H,4-5,10-11H2,1-2H3.
What are the key properties of 5-chloro-N-[1-(1-methylpiperidin-3-yl)ethyl]quinolin-8-amine?
5-chloro-N-[1-(1-methylpiperidin-3-yl)ethyl]quinolin-8-amine has a molecular weight of 303.84 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(1-methylpiperidin-3-yl)ethyl]quinolin-8-amine is sourced from PubChem (CID 60927567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).