3-(4-chlorophenyl)-2-(2-fluorophenyl)quinoline

C21H13ClFN — CID 22399508

IUPAC3-(4-chlorophenyl)-2-(2-fluorophenyl)quinoline
SMILESFc1ccccc1-c1nc2ccccc2cc1-c1ccc(Cl)cc1
InChIInChI=1S/C21H13ClFN/c22-16-11-9-14(10-12-16)18-13-15-5-1-4-8-20(15)24-21(18)17-6-2-3-7-19(17)23/h1-13H
InChIKeyBJEIRQGJNYQRRG-UHFFFAOYSA-N
MW333.79 g/mol
LogP6.36
Rot. Bonds2

About 3-(4-chlorophenyl)-2-(2-fluorophenyl)quinoline

3-(4-chlorophenyl)-2-(2-fluorophenyl)quinoline (PubChem CID 22399508) has the molecular formula C21H13ClFN and a molecular weight of 333.79 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-(2-fluorophenyl)quinoline.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-(2-fluorophenyl)quinoline
PubChem CID22399508
Molecular FormulaC21H13ClFN
Molecular Weight333.79 g/mol
Exact Mass333.07
IUPAC Name3-(4-chlorophenyl)-2-(2-fluorophenyl)quinoline
SMILESFc1ccccc1-c1nc2ccccc2cc1-c1ccc(Cl)cc1
InChIInChI=1S/C21H13ClFN/c22-16-11-9-14(10-12-16)18-13-15-5-1-4-8-20(15)24-21(18)17-6-2-3-7-19(17)23/h1-13H
InChIKeyBJEIRQGJNYQRRG-UHFFFAOYSA-N
XLogP6.36
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.79
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-(2-fluorophenyl)quinoline?
The IUPAC name of 3-(4-chlorophenyl)-2-(2-fluorophenyl)quinoline (CID 22399508) is 3-(4-chlorophenyl)-2-(2-fluorophenyl)quinoline.
What is the SMILES notation for 3-(4-chlorophenyl)-2-(2-fluorophenyl)quinoline?
The canonical SMILES for 3-(4-chlorophenyl)-2-(2-fluorophenyl)quinoline is Fc1ccccc1-c1nc2ccccc2cc1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-2-(2-fluorophenyl)quinoline?
The InChIKey is BJEIRQGJNYQRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClFN/c22-16-11-9-14(10-12-16)18-13-15-5-1-4-8-20(15)24-21(18)17-6-2-3-7-19(17)23/h1-13H.
What are the key properties of 3-(4-chlorophenyl)-2-(2-fluorophenyl)quinoline?
3-(4-chlorophenyl)-2-(2-fluorophenyl)quinoline has a molecular weight of 333.79 g/mol, XLogP of 6.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-(2-fluorophenyl)quinoline is sourced from PubChem (CID 22399508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).