7-chloro-N-methyl-N-(piperidin-4-ylmethyl)quinolin-4-amine

C16H20ClN3 — CID 79719664

IUPAC7-chloro-N-methyl-N-(piperidin-4-ylmethyl)quinolin-4-amine
SMILESCN(CC1CCNCC1)c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C16H20ClN3/c1-20(11-12-4-7-18-8-5-12)16-6-9-19-15-10-13(17)2-3-14(15)16/h2-3,6,9-10,12,18H,4-5,7-8,11H2,1H3
InChIKeyXINCJJZEIKISCA-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.32
Rot. Bonds3

About 7-chloro-N-methyl-N-(piperidin-4-ylmethyl)quinolin-4-amine

7-chloro-N-methyl-N-(piperidin-4-ylmethyl)quinolin-4-amine (PubChem CID 79719664) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is 7-chloro-N-methyl-N-(piperidin-4-ylmethyl)quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-methyl-N-(piperidin-4-ylmethyl)quinolin-4-amine
PubChem CID79719664
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC Name7-chloro-N-methyl-N-(piperidin-4-ylmethyl)quinolin-4-amine
SMILESCN(CC1CCNCC1)c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C16H20ClN3/c1-20(11-12-4-7-18-8-5-12)16-6-9-19-15-10-13(17)2-3-14(15)16/h2-3,6,9-10,12,18H,4-5,7-8,11H2,1H3
InChIKeyXINCJJZEIKISCA-UHFFFAOYSA-N
XLogP3.32
TPSA28.16 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 ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-methyl-N-(piperidin-4-ylmethyl)quinolin-4-amine?
The IUPAC name of 7-chloro-N-methyl-N-(piperidin-4-ylmethyl)quinolin-4-amine (CID 79719664) is 7-chloro-N-methyl-N-(piperidin-4-ylmethyl)quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-methyl-N-(piperidin-4-ylmethyl)quinolin-4-amine?
The canonical SMILES for 7-chloro-N-methyl-N-(piperidin-4-ylmethyl)quinolin-4-amine is CN(CC1CCNCC1)c1ccnc2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-N-methyl-N-(piperidin-4-ylmethyl)quinolin-4-amine?
The InChIKey is XINCJJZEIKISCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c1-20(11-12-4-7-18-8-5-12)16-6-9-19-15-10-13(17)2-3-14(15)16/h2-3,6,9-10,12,18H,4-5,7-8,11H2,1H3.
What are the key properties of 7-chloro-N-methyl-N-(piperidin-4-ylmethyl)quinolin-4-amine?
7-chloro-N-methyl-N-(piperidin-4-ylmethyl)quinolin-4-amine has a molecular weight of 289.81 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-methyl-N-(piperidin-4-ylmethyl)quinolin-4-amine is sourced from PubChem (CID 79719664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).