8-(3-chlorophenyl)-6-(pyridin-2-ylmethyl)quinoline

C21H15ClN2 — CID 19381178

IUPAC8-(3-chlorophenyl)-6-(pyridin-2-ylmethyl)quinoline
SMILESClc1cccc(-c2cc(Cc3ccccn3)cc3cccnc23)c1
InChIInChI=1S/C21H15ClN2/c22-18-7-3-5-16(14-18)20-13-15(12-19-8-1-2-9-23-19)11-17-6-4-10-24-21(17)20/h1-11,13-14H,12H2
InChIKeyNEAJENJCALFSJU-UHFFFAOYSA-N
MW330.82 g/mol
LogP5.54
Rot. Bonds3

About 8-(3-chlorophenyl)-6-(pyridin-2-ylmethyl)quinoline

8-(3-chlorophenyl)-6-(pyridin-2-ylmethyl)quinoline (PubChem CID 19381178) has the molecular formula C21H15ClN2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 8-(3-chlorophenyl)-6-(pyridin-2-ylmethyl)quinoline.

Molecular Properties

Compound Name8-(3-chlorophenyl)-6-(pyridin-2-ylmethyl)quinoline
PubChem CID19381178
Molecular FormulaC21H15ClN2
Molecular Weight330.82 g/mol
Exact Mass330.09
IUPAC Name8-(3-chlorophenyl)-6-(pyridin-2-ylmethyl)quinoline
SMILESClc1cccc(-c2cc(Cc3ccccn3)cc3cccnc23)c1
InChIInChI=1S/C21H15ClN2/c22-18-7-3-5-16(14-18)20-13-15(12-19-8-1-2-9-23-19)11-17-6-4-10-24-21(17)20/h1-11,13-14H,12H2
InChIKeyNEAJENJCALFSJU-UHFFFAOYSA-N
XLogP5.54
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.82
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(3-chlorophenyl)-6-(pyridin-2-ylmethyl)quinoline?
The IUPAC name of 8-(3-chlorophenyl)-6-(pyridin-2-ylmethyl)quinoline (CID 19381178) is 8-(3-chlorophenyl)-6-(pyridin-2-ylmethyl)quinoline.
What is the SMILES notation for 8-(3-chlorophenyl)-6-(pyridin-2-ylmethyl)quinoline?
The canonical SMILES for 8-(3-chlorophenyl)-6-(pyridin-2-ylmethyl)quinoline is Clc1cccc(-c2cc(Cc3ccccn3)cc3cccnc23)c1.
What is the InChIKey of 8-(3-chlorophenyl)-6-(pyridin-2-ylmethyl)quinoline?
The InChIKey is NEAJENJCALFSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2/c22-18-7-3-5-16(14-18)20-13-15(12-19-8-1-2-9-23-19)11-17-6-4-10-24-21(17)20/h1-11,13-14H,12H2.
What are the key properties of 8-(3-chlorophenyl)-6-(pyridin-2-ylmethyl)quinoline?
8-(3-chlorophenyl)-6-(pyridin-2-ylmethyl)quinoline has a molecular weight of 330.82 g/mol, XLogP of 5.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-chlorophenyl)-6-(pyridin-2-ylmethyl)quinoline is sourced from PubChem (CID 19381178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).