3-[4-[[3-[3-methyl-8-(trifluoromethyl)quinolin-4-yl]phenoxy]methyl]phenyl]propanamide

C27H23F3N2O2 — CID 66913804

IUPAC3-[4-[[3-[3-methyl-8-(trifluoromethyl)quinolin-4-yl]phenoxy]methyl]phenyl]propanamide
SMILESCc1cnc2c(C(F)(F)F)cccc2c1-c1cccc(OCc2ccc(CCC(N)=O)cc2)c1
InChIInChI=1S/C27H23F3N2O2/c1-17-15-32-26-22(6-3-7-23(26)27(28,29)30)25(17)20-4-2-5-21(14-20)34-16-19-10-8-18(9-11-19)12-13-24(31)33/h2-11,14-15H,12-13,16H2,1H3,(H2,31,33)
InChIKeyWSLLBZCTIFUUBP-UHFFFAOYSA-N
MW464.49 g/mol
LogP6.23
Rot. Bonds7

About 3-[4-[[3-[3-methyl-8-(trifluoromethyl)quinolin-4-yl]phenoxy]methyl]phenyl]propanamide

3-[4-[[3-[3-methyl-8-(trifluoromethyl)quinolin-4-yl]phenoxy]methyl]phenyl]propanamide (PubChem CID 66913804) has the molecular formula C27H23F3N2O2 and a molecular weight of 464.49 g/mol. Its IUPAC name is 3-[4-[[3-[3-methyl-8-(trifluoromethyl)quinolin-4-yl]phenoxy]methyl]phenyl]propanamide.

Molecular Properties

Compound Name3-[4-[[3-[3-methyl-8-(trifluoromethyl)quinolin-4-yl]phenoxy]methyl]phenyl]propanamide
PubChem CID66913804
Molecular FormulaC27H23F3N2O2
Molecular Weight464.49 g/mol
Exact Mass464.17
IUPAC Name3-[4-[[3-[3-methyl-8-(trifluoromethyl)quinolin-4-yl]phenoxy]methyl]phenyl]propanamide
SMILESCc1cnc2c(C(F)(F)F)cccc2c1-c1cccc(OCc2ccc(CCC(N)=O)cc2)c1
InChIInChI=1S/C27H23F3N2O2/c1-17-15-32-26-22(6-3-7-23(26)27(28,29)30)25(17)20-4-2-5-21(14-20)34-16-19-10-8-18(9-11-19)12-13-24(31)33/h2-11,14-15H,12-13,16H2,1H3,(H2,31,33)
InChIKeyWSLLBZCTIFUUBP-UHFFFAOYSA-N
XLogP6.23
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.49
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[4-[[3-[3-methyl-8-(trifluoromethyl)quinolin-4-yl]phenoxy]methyl]phenyl]propanamide with MolForge

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Related Compounds

methyl 2-[[3-[[3-[3-methyl-8-(trifluoromethyl)quinolin-4-yl]phenoxy]methyl]phenyl]methoxy]acetate
CID 91100952
[2-methyl-4-[[3-[3-phenyl-8-(trifluoromethyl)quinolin-4-yl]phenoxy]methyl]phenyl] acetate
CID 66914712
(E)-2-methyl-3-[4-[[3-[3-phenyl-8-(trifluoromethyl)quinolin-4-yl]phenoxy]methyl]phenyl]prop-2-enoic acid
CID 68812320
2-[4-[[3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]phenoxy]methyl]-2,5-dimethylphenyl]acetic acid
CID 25225786
[4-[[3-[3-phenoxy-8-(trifluoromethyl)quinolin-4-yl]phenoxy]methyl]phenyl] butanoate
CID 91038678
3-(2-methylphenyl)-4-[3-[(4-nitrophenyl)methoxy]phenyl]-8-(trifluoromethyl)quinoline
CID 66913911
4-[3-[[4-(chloromethyl)phenyl]methoxy]phenyl]-3-phenyl-8-(trifluoromethyl)quinoline
CID 141119965
3-[3-[[3-[3-(2-ethylphenyl)-8-(trifluoromethyl)quinolin-4-yl]phenoxy]methyl]phenyl]propanoic acid
CID 66914049
[4-[3-[(4-nitrophenyl)methoxy]phenyl]-8-(trifluoromethyl)quinolin-3-yl]-phenylmethanone
CID 66914228
methyl 2-[4-[[3-[3-[(4-chlorophenyl)methyl]-8-(trifluoromethyl)quinolin-4-yl]phenoxy]methyl]phenoxy]acetate
CID 91201800
4-[3-[(2,6-dimethylphenyl)methoxy]phenyl]-3-(2-methylphenyl)-8-(trifluoromethyl)quinoline
CID 66914378
4-[3-(3-ethylsulfonylphenoxy)phenyl]-3-methyl-8-(trifluoromethyl)quinoline
CID 25102117

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[3-[3-methyl-8-(trifluoromethyl)quinolin-4-yl]phenoxy]methyl]phenyl]propanamide?
The IUPAC name of 3-[4-[[3-[3-methyl-8-(trifluoromethyl)quinolin-4-yl]phenoxy]methyl]phenyl]propanamide (CID 66913804) is 3-[4-[[3-[3-methyl-8-(trifluoromethyl)quinolin-4-yl]phenoxy]methyl]phenyl]propanamide.
What is the SMILES notation for 3-[4-[[3-[3-methyl-8-(trifluoromethyl)quinolin-4-yl]phenoxy]methyl]phenyl]propanamide?
The canonical SMILES for 3-[4-[[3-[3-methyl-8-(trifluoromethyl)quinolin-4-yl]phenoxy]methyl]phenyl]propanamide is Cc1cnc2c(C(F)(F)F)cccc2c1-c1cccc(OCc2ccc(CCC(N)=O)cc2)c1.
What is the InChIKey of 3-[4-[[3-[3-methyl-8-(trifluoromethyl)quinolin-4-yl]phenoxy]methyl]phenyl]propanamide?
The InChIKey is WSLLBZCTIFUUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F3N2O2/c1-17-15-32-26-22(6-3-7-23(26)27(28,29)30)25(17)20-4-2-5-21(14-20)34-16-19-10-8-18(9-11-19)12-13-24(31)33/h2-11,14-15H,12-13,16H2,1H3,(H2,31,33).
What are the key properties of 3-[4-[[3-[3-methyl-8-(trifluoromethyl)quinolin-4-yl]phenoxy]methyl]phenyl]propanamide?
3-[4-[[3-[3-methyl-8-(trifluoromethyl)quinolin-4-yl]phenoxy]methyl]phenyl]propanamide has a molecular weight of 464.49 g/mol, XLogP of 6.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[3-[3-methyl-8-(trifluoromethyl)quinolin-4-yl]phenoxy]methyl]phenyl]propanamide is sourced from PubChem (CID 66913804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).