4-chloro-3-(4-fluorophenyl)-2-(4-methoxyphenyl)quinoline

C22H15ClFNO — CID 139213833

IUPAC4-chloro-3-(4-fluorophenyl)-2-(4-methoxyphenyl)quinoline
SMILESCOc1ccc(-c2nc3ccccc3c(Cl)c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C22H15ClFNO/c1-26-17-12-8-15(9-13-17)22-20(14-6-10-16(24)11-7-14)21(23)18-4-2-3-5-19(18)25-22/h2-13H,1H3
InChIKeyQJLYNODEOSTDGD-UHFFFAOYSA-N
MW363.82 g/mol
LogP6.37
Rot. Bonds3

About 4-chloro-3-(4-fluorophenyl)-2-(4-methoxyphenyl)quinoline

4-chloro-3-(4-fluorophenyl)-2-(4-methoxyphenyl)quinoline (PubChem CID 139213833) has the molecular formula C22H15ClFNO and a molecular weight of 363.82 g/mol. Its IUPAC name is 4-chloro-3-(4-fluorophenyl)-2-(4-methoxyphenyl)quinoline.

Molecular Properties

Compound Name4-chloro-3-(4-fluorophenyl)-2-(4-methoxyphenyl)quinoline
PubChem CID139213833
Molecular FormulaC22H15ClFNO
Molecular Weight363.82 g/mol
Exact Mass363.08
IUPAC Name4-chloro-3-(4-fluorophenyl)-2-(4-methoxyphenyl)quinoline
SMILESCOc1ccc(-c2nc3ccccc3c(Cl)c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C22H15ClFNO/c1-26-17-12-8-15(9-13-17)22-20(14-6-10-16(24)11-7-14)21(23)18-4-2-3-5-19(18)25-22/h2-13H,1H3
InChIKeyQJLYNODEOSTDGD-UHFFFAOYSA-N
XLogP6.37
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.82
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(4-fluorophenyl)-2-(4-methoxyphenyl)quinoline?
The IUPAC name of 4-chloro-3-(4-fluorophenyl)-2-(4-methoxyphenyl)quinoline (CID 139213833) is 4-chloro-3-(4-fluorophenyl)-2-(4-methoxyphenyl)quinoline.
What is the SMILES notation for 4-chloro-3-(4-fluorophenyl)-2-(4-methoxyphenyl)quinoline?
The canonical SMILES for 4-chloro-3-(4-fluorophenyl)-2-(4-methoxyphenyl)quinoline is COc1ccc(-c2nc3ccccc3c(Cl)c2-c2ccc(F)cc2)cc1.
What is the InChIKey of 4-chloro-3-(4-fluorophenyl)-2-(4-methoxyphenyl)quinoline?
The InChIKey is QJLYNODEOSTDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClFNO/c1-26-17-12-8-15(9-13-17)22-20(14-6-10-16(24)11-7-14)21(23)18-4-2-3-5-19(18)25-22/h2-13H,1H3.
What are the key properties of 4-chloro-3-(4-fluorophenyl)-2-(4-methoxyphenyl)quinoline?
4-chloro-3-(4-fluorophenyl)-2-(4-methoxyphenyl)quinoline has a molecular weight of 363.82 g/mol, XLogP of 6.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(4-fluorophenyl)-2-(4-methoxyphenyl)quinoline is sourced from PubChem (CID 139213833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).