7-chloro-N-(2-pyridin-2-ylethyl)quinolin-4-amine

C16H14ClN3 — CID 2540886

IUPAC7-chloro-N-(2-pyridin-2-ylethyl)quinolin-4-amine
SMILESClc1ccc2c(NCCc3ccccn3)ccnc2c1
InChIInChI=1S/C16H14ClN3/c17-12-4-5-14-15(7-10-20-16(14)11-12)19-9-6-13-3-1-2-8-18-13/h1-5,7-8,10-11H,6,9H2,(H,19,20)
InChIKeyLHWYYNXVLGPUNM-UHFFFAOYSA-N
MW283.76 g/mol
LogP3.94
Rot. Bonds4

About 7-chloro-N-(2-pyridin-2-ylethyl)quinolin-4-amine

7-chloro-N-(2-pyridin-2-ylethyl)quinolin-4-amine (PubChem CID 2540886) has the molecular formula C16H14ClN3 and a molecular weight of 283.76 g/mol. Its IUPAC name is 7-chloro-N-(2-pyridin-2-ylethyl)quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-(2-pyridin-2-ylethyl)quinolin-4-amine
PubChem CID2540886
Molecular FormulaC16H14ClN3
Molecular Weight283.76 g/mol
Exact Mass283.09
IUPAC Name7-chloro-N-(2-pyridin-2-ylethyl)quinolin-4-amine
SMILESClc1ccc2c(NCCc3ccccn3)ccnc2c1
InChIInChI=1S/C16H14ClN3/c17-12-4-5-14-15(7-10-20-16(14)11-12)19-9-6-13-3-1-2-8-18-13/h1-5,7-8,10-11H,6,9H2,(H,19,20)
InChIKeyLHWYYNXVLGPUNM-UHFFFAOYSA-N
XLogP3.94
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(2-pyridin-2-ylethyl)quinolin-4-amine?
The IUPAC name of 7-chloro-N-(2-pyridin-2-ylethyl)quinolin-4-amine (CID 2540886) is 7-chloro-N-(2-pyridin-2-ylethyl)quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-(2-pyridin-2-ylethyl)quinolin-4-amine?
The canonical SMILES for 7-chloro-N-(2-pyridin-2-ylethyl)quinolin-4-amine is Clc1ccc2c(NCCc3ccccn3)ccnc2c1.
What is the InChIKey of 7-chloro-N-(2-pyridin-2-ylethyl)quinolin-4-amine?
The InChIKey is LHWYYNXVLGPUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3/c17-12-4-5-14-15(7-10-20-16(14)11-12)19-9-6-13-3-1-2-8-18-13/h1-5,7-8,10-11H,6,9H2,(H,19,20).
What are the key properties of 7-chloro-N-(2-pyridin-2-ylethyl)quinolin-4-amine?
7-chloro-N-(2-pyridin-2-ylethyl)quinolin-4-amine has a molecular weight of 283.76 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(2-pyridin-2-ylethyl)quinolin-4-amine is sourced from PubChem (CID 2540886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).