5-chloro-3-(3-fluoro-4-methoxyphenyl)quinoline

C16H11ClFNO — CID 54460897

IUPAC5-chloro-3-(3-fluoro-4-methoxyphenyl)quinoline
SMILESCOc1ccc(-c2cnc3cccc(Cl)c3c2)cc1F
InChIInChI=1S/C16H11ClFNO/c1-20-16-6-5-10(8-14(16)18)11-7-12-13(17)3-2-4-15(12)19-9-11/h2-9H,1H3
InChIKeyXBNFVDKSOLGPLP-UHFFFAOYSA-N
MW287.72 g/mol
LogP4.70
Rot. Bonds2

About 5-chloro-3-(3-fluoro-4-methoxyphenyl)quinoline

5-chloro-3-(3-fluoro-4-methoxyphenyl)quinoline (PubChem CID 54460897) has the molecular formula C16H11ClFNO and a molecular weight of 287.72 g/mol. Its IUPAC name is 5-chloro-3-(3-fluoro-4-methoxyphenyl)quinoline.

Molecular Properties

Compound Name5-chloro-3-(3-fluoro-4-methoxyphenyl)quinoline
PubChem CID54460897
Molecular FormulaC16H11ClFNO
Molecular Weight287.72 g/mol
Exact Mass287.05
IUPAC Name5-chloro-3-(3-fluoro-4-methoxyphenyl)quinoline
SMILESCOc1ccc(-c2cnc3cccc(Cl)c3c2)cc1F
InChIInChI=1S/C16H11ClFNO/c1-20-16-6-5-10(8-14(16)18)11-7-12-13(17)3-2-4-15(12)19-9-11/h2-9H,1H3
InChIKeyXBNFVDKSOLGPLP-UHFFFAOYSA-N
XLogP4.70
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.72
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(3-fluoro-4-methoxyphenyl)quinoline?
The IUPAC name of 5-chloro-3-(3-fluoro-4-methoxyphenyl)quinoline (CID 54460897) is 5-chloro-3-(3-fluoro-4-methoxyphenyl)quinoline.
What is the SMILES notation for 5-chloro-3-(3-fluoro-4-methoxyphenyl)quinoline?
The canonical SMILES for 5-chloro-3-(3-fluoro-4-methoxyphenyl)quinoline is COc1ccc(-c2cnc3cccc(Cl)c3c2)cc1F.
What is the InChIKey of 5-chloro-3-(3-fluoro-4-methoxyphenyl)quinoline?
The InChIKey is XBNFVDKSOLGPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFNO/c1-20-16-6-5-10(8-14(16)18)11-7-12-13(17)3-2-4-15(12)19-9-11/h2-9H,1H3.
What are the key properties of 5-chloro-3-(3-fluoro-4-methoxyphenyl)quinoline?
5-chloro-3-(3-fluoro-4-methoxyphenyl)quinoline has a molecular weight of 287.72 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(3-fluoro-4-methoxyphenyl)quinoline is sourced from PubChem (CID 54460897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).