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

C15H12ClN3 — CID 4791782

IUPAC7-chloro-N-(pyridin-2-ylmethyl)quinolin-4-amine
SMILESClc1ccc2c(NCc3ccccn3)ccnc2c1
InChIInChI=1S/C15H12ClN3/c16-11-4-5-13-14(6-8-18-15(13)9-11)19-10-12-3-1-2-7-17-12/h1-9H,10H2,(H,18,19)
InChIKeyXXWZFWUXSRUTRT-UHFFFAOYSA-N
MW269.74 g/mol
LogP3.90
Rot. Bonds3

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

7-chloro-N-(pyridin-2-ylmethyl)quinolin-4-amine (PubChem CID 4791782) has the molecular formula C15H12ClN3 and a molecular weight of 269.74 g/mol. Its IUPAC name is 7-chloro-N-(pyridin-2-ylmethyl)quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-(pyridin-2-ylmethyl)quinolin-4-amine
PubChem CID4791782
Molecular FormulaC15H12ClN3
Molecular Weight269.74 g/mol
Exact Mass269.07
IUPAC Name7-chloro-N-(pyridin-2-ylmethyl)quinolin-4-amine
SMILESClc1ccc2c(NCc3ccccn3)ccnc2c1
InChIInChI=1S/C15H12ClN3/c16-11-4-5-13-14(6-8-18-15(13)9-11)19-10-12-3-1-2-7-17-12/h1-9H,10H2,(H,18,19)
InChIKeyXXWZFWUXSRUTRT-UHFFFAOYSA-N
XLogP3.90
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.74
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(pyridin-2-ylmethyl)quinolin-4-amine?
The IUPAC name of 7-chloro-N-(pyridin-2-ylmethyl)quinolin-4-amine (CID 4791782) is 7-chloro-N-(pyridin-2-ylmethyl)quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-(pyridin-2-ylmethyl)quinolin-4-amine?
The canonical SMILES for 7-chloro-N-(pyridin-2-ylmethyl)quinolin-4-amine is Clc1ccc2c(NCc3ccccn3)ccnc2c1.
What is the InChIKey of 7-chloro-N-(pyridin-2-ylmethyl)quinolin-4-amine?
The InChIKey is XXWZFWUXSRUTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3/c16-11-4-5-13-14(6-8-18-15(13)9-11)19-10-12-3-1-2-7-17-12/h1-9H,10H2,(H,18,19).
What are the key properties of 7-chloro-N-(pyridin-2-ylmethyl)quinolin-4-amine?
7-chloro-N-(pyridin-2-ylmethyl)quinolin-4-amine has a molecular weight of 269.74 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(pyridin-2-ylmethyl)quinolin-4-amine is sourced from PubChem (CID 4791782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).