4-(2-fluoro-5-methoxyphenyl)-3-phenyl-8-(trifluoromethyl)quinoline

C23H15F4NO — CID 66913753

IUPAC4-(2-fluoro-5-methoxyphenyl)-3-phenyl-8-(trifluoromethyl)quinoline
SMILESCOc1ccc(F)c(-c2c(-c3ccccc3)cnc3c(C(F)(F)F)cccc23)c1
InChIInChI=1S/C23H15F4NO/c1-29-15-10-11-20(24)17(12-15)21-16-8-5-9-19(23(25,26)27)22(16)28-13-18(21)14-6-3-2-4-7-14/h2-13H,1H3
InChIKeyLHPQVVBHHQGXLU-UHFFFAOYSA-N
MW397.37 g/mol
LogP6.74
Rot. Bonds3

About 4-(2-fluoro-5-methoxyphenyl)-3-phenyl-8-(trifluoromethyl)quinoline

4-(2-fluoro-5-methoxyphenyl)-3-phenyl-8-(trifluoromethyl)quinoline (PubChem CID 66913753) has the molecular formula C23H15F4NO and a molecular weight of 397.37 g/mol. Its IUPAC name is 4-(2-fluoro-5-methoxyphenyl)-3-phenyl-8-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name4-(2-fluoro-5-methoxyphenyl)-3-phenyl-8-(trifluoromethyl)quinoline
PubChem CID66913753
Molecular FormulaC23H15F4NO
Molecular Weight397.37 g/mol
Exact Mass397.11
IUPAC Name4-(2-fluoro-5-methoxyphenyl)-3-phenyl-8-(trifluoromethyl)quinoline
SMILESCOc1ccc(F)c(-c2c(-c3ccccc3)cnc3c(C(F)(F)F)cccc23)c1
InChIInChI=1S/C23H15F4NO/c1-29-15-10-11-20(24)17(12-15)21-16-8-5-9-19(23(25,26)27)22(16)28-13-18(21)14-6-3-2-4-7-14/h2-13H,1H3
InChIKeyLHPQVVBHHQGXLU-UHFFFAOYSA-N
XLogP6.74
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.37
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-5-methoxyphenyl)-3-phenyl-8-(trifluoromethyl)quinoline?
The IUPAC name of 4-(2-fluoro-5-methoxyphenyl)-3-phenyl-8-(trifluoromethyl)quinoline (CID 66913753) is 4-(2-fluoro-5-methoxyphenyl)-3-phenyl-8-(trifluoromethyl)quinoline.
What is the SMILES notation for 4-(2-fluoro-5-methoxyphenyl)-3-phenyl-8-(trifluoromethyl)quinoline?
The canonical SMILES for 4-(2-fluoro-5-methoxyphenyl)-3-phenyl-8-(trifluoromethyl)quinoline is COc1ccc(F)c(-c2c(-c3ccccc3)cnc3c(C(F)(F)F)cccc23)c1.
What is the InChIKey of 4-(2-fluoro-5-methoxyphenyl)-3-phenyl-8-(trifluoromethyl)quinoline?
The InChIKey is LHPQVVBHHQGXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F4NO/c1-29-15-10-11-20(24)17(12-15)21-16-8-5-9-19(23(25,26)27)22(16)28-13-18(21)14-6-3-2-4-7-14/h2-13H,1H3.
What are the key properties of 4-(2-fluoro-5-methoxyphenyl)-3-phenyl-8-(trifluoromethyl)quinoline?
4-(2-fluoro-5-methoxyphenyl)-3-phenyl-8-(trifluoromethyl)quinoline has a molecular weight of 397.37 g/mol, XLogP of 6.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-5-methoxyphenyl)-3-phenyl-8-(trifluoromethyl)quinoline is sourced from PubChem (CID 66913753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).