2-[(E)-2-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethenyl]quinoline

C26H20F3NO2 — CID 6184265

IUPAC2-[(E)-2-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethenyl]quinoline
SMILESCOc1cc(/C=C/c2ccc3ccccc3n2)ccc1OCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C26H20F3NO2/c1-31-25-16-18(9-12-22-13-11-20-6-2-3-8-23(20)30-22)10-14-24(25)32-17-19-5-4-7-21(15-19)26(27,28)29/h2-16H,17H2,1H3/b12-9+
InChIKeyAKJCMMPMHOOELS-FMIVXFBMSA-N
MW435.45 g/mol
LogP7.01
Rot. Bonds6

About 2-[(E)-2-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethenyl]quinoline

2-[(E)-2-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethenyl]quinoline (PubChem CID 6184265) has the molecular formula C26H20F3NO2 and a molecular weight of 435.45 g/mol. Its IUPAC name is 2-[(E)-2-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethenyl]quinoline.

Molecular Properties

Compound Name2-[(E)-2-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethenyl]quinoline
PubChem CID6184265
Molecular FormulaC26H20F3NO2
Molecular Weight435.45 g/mol
Exact Mass435.14
IUPAC Name2-[(E)-2-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethenyl]quinoline
SMILESCOc1cc(/C=C/c2ccc3ccccc3n2)ccc1OCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C26H20F3NO2/c1-31-25-16-18(9-12-22-13-11-20-6-2-3-8-23(20)30-22)10-14-24(25)32-17-19-5-4-7-21(15-19)26(27,28)29/h2-16H,17H2,1H3/b12-9+
InChIKeyAKJCMMPMHOOELS-FMIVXFBMSA-N
XLogP7.01
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.45
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(E)-2-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethenyl]quinoline with MolForge

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Related Compounds

2-[(E)-2-[4-methoxy-3-(2-methylpropoxy)phenyl]ethenyl]quinoline
CID 7945993
2-methoxy-4-methyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 112788028
N-[[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methylideneamino]aniline
CID 169384243
2-(1,3-benzothiazol-2-yl)-3-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]prop-2-enenitrile
CID 4679244
(E)-2-(1H-benzimidazol-2-yl)-3-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]prop-2-enenitrile
CID 5293828
2-methoxy-5-[(E)-2-quinolin-2-ylethenyl]phenol
CID 5474190
[[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methylideneamino]urea
CID 168534106
methyl (Z)-2-cyano-3-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]prop-2-enoate
CID 17388997
[2-methoxy-5-[2-(8-phenylmethoxyquinolin-2-yl)ethenyl]phenyl] acetate
CID 5055101
2-cyano-3-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]prop-2-enethioamide
CID 3250792
3-[[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methylidene]-1-methylindol-2-one
CID 5215498
(E)-2-benzoyl-3-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]prop-2-enenitrile
CID 6174511

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethenyl]quinoline?
The IUPAC name of 2-[(E)-2-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethenyl]quinoline (CID 6184265) is 2-[(E)-2-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethenyl]quinoline.
What is the SMILES notation for 2-[(E)-2-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethenyl]quinoline?
The canonical SMILES for 2-[(E)-2-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethenyl]quinoline is COc1cc(/C=C/c2ccc3ccccc3n2)ccc1OCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[(E)-2-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethenyl]quinoline?
The InChIKey is AKJCMMPMHOOELS-FMIVXFBMSA-N. The full InChI is InChI=1S/C26H20F3NO2/c1-31-25-16-18(9-12-22-13-11-20-6-2-3-8-23(20)30-22)10-14-24(25)32-17-19-5-4-7-21(15-19)26(27,28)29/h2-16H,17H2,1H3/b12-9+.
What are the key properties of 2-[(E)-2-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethenyl]quinoline?
2-[(E)-2-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethenyl]quinoline has a molecular weight of 435.45 g/mol, XLogP of 7.01, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethenyl]quinoline is sourced from PubChem (CID 6184265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).