8-(3-chloro-4-fluorophenyl)-6-(pyridin-4-ylmethyl)quinoline

C21H14ClFN2 — CID 15295271

IUPAC8-(3-chloro-4-fluorophenyl)-6-(pyridin-4-ylmethyl)quinoline
SMILESFc1ccc(-c2cc(Cc3ccncc3)cc3cccnc23)cc1Cl
InChIInChI=1S/C21H14ClFN2/c22-19-13-16(3-4-20(19)23)18-12-15(10-14-5-8-24-9-6-14)11-17-2-1-7-25-21(17)18/h1-9,11-13H,10H2
InChIKeyDLDSLUGXJFIKCP-UHFFFAOYSA-N
MW348.81 g/mol
LogP5.68
Rot. Bonds3

About 8-(3-chloro-4-fluorophenyl)-6-(pyridin-4-ylmethyl)quinoline

8-(3-chloro-4-fluorophenyl)-6-(pyridin-4-ylmethyl)quinoline (PubChem CID 15295271) has the molecular formula C21H14ClFN2 and a molecular weight of 348.81 g/mol. Its IUPAC name is 8-(3-chloro-4-fluorophenyl)-6-(pyridin-4-ylmethyl)quinoline.

Molecular Properties

Compound Name8-(3-chloro-4-fluorophenyl)-6-(pyridin-4-ylmethyl)quinoline
PubChem CID15295271
Molecular FormulaC21H14ClFN2
Molecular Weight348.81 g/mol
Exact Mass348.08
IUPAC Name8-(3-chloro-4-fluorophenyl)-6-(pyridin-4-ylmethyl)quinoline
SMILESFc1ccc(-c2cc(Cc3ccncc3)cc3cccnc23)cc1Cl
InChIInChI=1S/C21H14ClFN2/c22-19-13-16(3-4-20(19)23)18-12-15(10-14-5-8-24-9-6-14)11-17-2-1-7-25-21(17)18/h1-9,11-13H,10H2
InChIKeyDLDSLUGXJFIKCP-UHFFFAOYSA-N
XLogP5.68
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.81
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(3-chloro-4-fluorophenyl)-6-(pyridin-4-ylmethyl)quinoline?
The IUPAC name of 8-(3-chloro-4-fluorophenyl)-6-(pyridin-4-ylmethyl)quinoline (CID 15295271) is 8-(3-chloro-4-fluorophenyl)-6-(pyridin-4-ylmethyl)quinoline.
What is the SMILES notation for 8-(3-chloro-4-fluorophenyl)-6-(pyridin-4-ylmethyl)quinoline?
The canonical SMILES for 8-(3-chloro-4-fluorophenyl)-6-(pyridin-4-ylmethyl)quinoline is Fc1ccc(-c2cc(Cc3ccncc3)cc3cccnc23)cc1Cl.
What is the InChIKey of 8-(3-chloro-4-fluorophenyl)-6-(pyridin-4-ylmethyl)quinoline?
The InChIKey is DLDSLUGXJFIKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClFN2/c22-19-13-16(3-4-20(19)23)18-12-15(10-14-5-8-24-9-6-14)11-17-2-1-7-25-21(17)18/h1-9,11-13H,10H2.
What are the key properties of 8-(3-chloro-4-fluorophenyl)-6-(pyridin-4-ylmethyl)quinoline?
8-(3-chloro-4-fluorophenyl)-6-(pyridin-4-ylmethyl)quinoline has a molecular weight of 348.81 g/mol, XLogP of 5.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-chloro-4-fluorophenyl)-6-(pyridin-4-ylmethyl)quinoline is sourced from PubChem (CID 15295271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).