3-[(4-methoxyphenoxy)methyl]-4-phenyl-8-(trifluoromethyl)quinoline

C24H18F3NO2 — CID 66914038

IUPAC3-[(4-methoxyphenoxy)methyl]-4-phenyl-8-(trifluoromethyl)quinoline
SMILESCOc1ccc(OCc2cnc3c(C(F)(F)F)cccc3c2-c2ccccc2)cc1
InChIInChI=1S/C24H18F3NO2/c1-29-18-10-12-19(13-11-18)30-15-17-14-28-23-20(8-5-9-21(23)24(25,26)27)22(17)16-6-3-2-4-7-16/h2-14H,15H2,1H3
InChIKeyDSBJZLHQIVURBZ-UHFFFAOYSA-N
MW409.41 g/mol
LogP6.51
Rot. Bonds5

About 3-[(4-methoxyphenoxy)methyl]-4-phenyl-8-(trifluoromethyl)quinoline

3-[(4-methoxyphenoxy)methyl]-4-phenyl-8-(trifluoromethyl)quinoline (PubChem CID 66914038) has the molecular formula C24H18F3NO2 and a molecular weight of 409.41 g/mol. Its IUPAC name is 3-[(4-methoxyphenoxy)methyl]-4-phenyl-8-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name3-[(4-methoxyphenoxy)methyl]-4-phenyl-8-(trifluoromethyl)quinoline
PubChem CID66914038
Molecular FormulaC24H18F3NO2
Molecular Weight409.41 g/mol
Exact Mass409.13
IUPAC Name3-[(4-methoxyphenoxy)methyl]-4-phenyl-8-(trifluoromethyl)quinoline
SMILESCOc1ccc(OCc2cnc3c(C(F)(F)F)cccc3c2-c2ccccc2)cc1
InChIInChI=1S/C24H18F3NO2/c1-29-18-10-12-19(13-11-18)30-15-17-14-28-23-20(8-5-9-21(23)24(25,26)27)22(17)16-6-3-2-4-7-16/h2-14H,15H2,1H3
InChIKeyDSBJZLHQIVURBZ-UHFFFAOYSA-N
XLogP6.51
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.41
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenoxy)methyl]-4-phenyl-8-(trifluoromethyl)quinoline?
The IUPAC name of 3-[(4-methoxyphenoxy)methyl]-4-phenyl-8-(trifluoromethyl)quinoline (CID 66914038) is 3-[(4-methoxyphenoxy)methyl]-4-phenyl-8-(trifluoromethyl)quinoline.
What is the SMILES notation for 3-[(4-methoxyphenoxy)methyl]-4-phenyl-8-(trifluoromethyl)quinoline?
The canonical SMILES for 3-[(4-methoxyphenoxy)methyl]-4-phenyl-8-(trifluoromethyl)quinoline is COc1ccc(OCc2cnc3c(C(F)(F)F)cccc3c2-c2ccccc2)cc1.
What is the InChIKey of 3-[(4-methoxyphenoxy)methyl]-4-phenyl-8-(trifluoromethyl)quinoline?
The InChIKey is DSBJZLHQIVURBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3NO2/c1-29-18-10-12-19(13-11-18)30-15-17-14-28-23-20(8-5-9-21(23)24(25,26)27)22(17)16-6-3-2-4-7-16/h2-14H,15H2,1H3.
What are the key properties of 3-[(4-methoxyphenoxy)methyl]-4-phenyl-8-(trifluoromethyl)quinoline?
3-[(4-methoxyphenoxy)methyl]-4-phenyl-8-(trifluoromethyl)quinoline has a molecular weight of 409.41 g/mol, XLogP of 6.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenoxy)methyl]-4-phenyl-8-(trifluoromethyl)quinoline is sourced from PubChem (CID 66914038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).