3-[3-(4-fluorophenyl)-4,5-dimethoxyphenyl]quinoline

C23H18FNO2 — CID 67997706

IUPAC3-[3-(4-fluorophenyl)-4,5-dimethoxyphenyl]quinoline
SMILESCOc1cc(-c2cnc3ccccc3c2)cc(-c2ccc(F)cc2)c1OC
InChIInChI=1S/C23H18FNO2/c1-26-22-13-17(18-11-16-5-3-4-6-21(16)25-14-18)12-20(23(22)27-2)15-7-9-19(24)10-8-15/h3-14H,1-2H3
InChIKeyNFTKVSPRZYYXDO-UHFFFAOYSA-N
MW359.40 g/mol
LogP5.73
Rot. Bonds4

About 3-[3-(4-fluorophenyl)-4,5-dimethoxyphenyl]quinoline

3-[3-(4-fluorophenyl)-4,5-dimethoxyphenyl]quinoline (PubChem CID 67997706) has the molecular formula C23H18FNO2 and a molecular weight of 359.40 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)-4,5-dimethoxyphenyl]quinoline.

Molecular Properties

Compound Name3-[3-(4-fluorophenyl)-4,5-dimethoxyphenyl]quinoline
PubChem CID67997706
Molecular FormulaC23H18FNO2
Molecular Weight359.40 g/mol
Exact Mass359.13
IUPAC Name3-[3-(4-fluorophenyl)-4,5-dimethoxyphenyl]quinoline
SMILESCOc1cc(-c2cnc3ccccc3c2)cc(-c2ccc(F)cc2)c1OC
InChIInChI=1S/C23H18FNO2/c1-26-22-13-17(18-11-16-5-3-4-6-21(16)25-14-18)12-20(23(22)27-2)15-7-9-19(24)10-8-15/h3-14H,1-2H3
InChIKeyNFTKVSPRZYYXDO-UHFFFAOYSA-N
XLogP5.73
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.40
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenyl)-4,5-dimethoxyphenyl]quinoline?
The IUPAC name of 3-[3-(4-fluorophenyl)-4,5-dimethoxyphenyl]quinoline (CID 67997706) is 3-[3-(4-fluorophenyl)-4,5-dimethoxyphenyl]quinoline.
What is the SMILES notation for 3-[3-(4-fluorophenyl)-4,5-dimethoxyphenyl]quinoline?
The canonical SMILES for 3-[3-(4-fluorophenyl)-4,5-dimethoxyphenyl]quinoline is COc1cc(-c2cnc3ccccc3c2)cc(-c2ccc(F)cc2)c1OC.
What is the InChIKey of 3-[3-(4-fluorophenyl)-4,5-dimethoxyphenyl]quinoline?
The InChIKey is NFTKVSPRZYYXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FNO2/c1-26-22-13-17(18-11-16-5-3-4-6-21(16)25-14-18)12-20(23(22)27-2)15-7-9-19(24)10-8-15/h3-14H,1-2H3.
What are the key properties of 3-[3-(4-fluorophenyl)-4,5-dimethoxyphenyl]quinoline?
3-[3-(4-fluorophenyl)-4,5-dimethoxyphenyl]quinoline has a molecular weight of 359.40 g/mol, XLogP of 5.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluorophenyl)-4,5-dimethoxyphenyl]quinoline is sourced from PubChem (CID 67997706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).