6-chloro-4-phenyl-2-pyridin-4-ylquinoline

C20H13ClN2 — CID 628987

IUPAC6-chloro-4-phenyl-2-pyridin-4-ylquinoline
SMILESClc1ccc2nc(-c3ccncc3)cc(-c3ccccc3)c2c1
InChIInChI=1S/C20H13ClN2/c21-16-6-7-19-18(12-16)17(14-4-2-1-3-5-14)13-20(23-19)15-8-10-22-11-9-15/h1-13H
InChIKeyNLDZNXLHEPMPJH-UHFFFAOYSA-N
MW316.79 g/mol
LogP5.62
Rot. Bonds2

About 6-chloro-4-phenyl-2-pyridin-4-ylquinoline

6-chloro-4-phenyl-2-pyridin-4-ylquinoline (PubChem CID 628987) has the molecular formula C20H13ClN2 and a molecular weight of 316.79 g/mol. Its IUPAC name is 6-chloro-4-phenyl-2-pyridin-4-ylquinoline.

Molecular Properties

Compound Name6-chloro-4-phenyl-2-pyridin-4-ylquinoline
PubChem CID628987
Molecular FormulaC20H13ClN2
Molecular Weight316.79 g/mol
Exact Mass316.08
IUPAC Name6-chloro-4-phenyl-2-pyridin-4-ylquinoline
SMILESClc1ccc2nc(-c3ccncc3)cc(-c3ccccc3)c2c1
InChIInChI=1S/C20H13ClN2/c21-16-6-7-19-18(12-16)17(14-4-2-1-3-5-14)13-20(23-19)15-8-10-22-11-9-15/h1-13H
InChIKeyNLDZNXLHEPMPJH-UHFFFAOYSA-N
XLogP5.62
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.79
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-phenyl-2-pyridin-4-ylquinoline?
The IUPAC name of 6-chloro-4-phenyl-2-pyridin-4-ylquinoline (CID 628987) is 6-chloro-4-phenyl-2-pyridin-4-ylquinoline.
What is the SMILES notation for 6-chloro-4-phenyl-2-pyridin-4-ylquinoline?
The canonical SMILES for 6-chloro-4-phenyl-2-pyridin-4-ylquinoline is Clc1ccc2nc(-c3ccncc3)cc(-c3ccccc3)c2c1.
What is the InChIKey of 6-chloro-4-phenyl-2-pyridin-4-ylquinoline?
The InChIKey is NLDZNXLHEPMPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN2/c21-16-6-7-19-18(12-16)17(14-4-2-1-3-5-14)13-20(23-19)15-8-10-22-11-9-15/h1-13H.
What are the key properties of 6-chloro-4-phenyl-2-pyridin-4-ylquinoline?
6-chloro-4-phenyl-2-pyridin-4-ylquinoline has a molecular weight of 316.79 g/mol, XLogP of 5.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-phenyl-2-pyridin-4-ylquinoline is sourced from PubChem (CID 628987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).