5,7-dimethyl-2-[(E)-2-[6-(trifluoromethyl)-3-pyridinyl]ethenyl]quinolin-8-ol

C19H15F3N2O — CID 118341306

IUPAC5,7-dimethyl-2-[(E)-2-[6-(trifluoromethyl)-3-pyridinyl]ethenyl]quinolin-8-ol
SMILESCc1cc(C)c2ccc(/C=C/c3ccc(C(F)(F)F)nc3)nc2c1O
InChIInChI=1S/C19H15F3N2O/c1-11-9-12(2)18(25)17-15(11)7-6-14(24-17)5-3-13-4-8-16(23-10-13)19(20,21)22/h3-10,25H,1-2H3/b5-3+
InChIKeyIJZYHYAOCLOWEA-HWKANZROSA-N
MW344.34 g/mol
LogP5.14
Rot. Bonds2

About 5,7-dimethyl-2-[(E)-2-[6-(trifluoromethyl)-3-pyridinyl]ethenyl]quinolin-8-ol

5,7-dimethyl-2-[(E)-2-[6-(trifluoromethyl)-3-pyridinyl]ethenyl]quinolin-8-ol (PubChem CID 118341306) has the molecular formula C19H15F3N2O and a molecular weight of 344.34 g/mol. Its IUPAC name is 5,7-dimethyl-2-[(E)-2-[6-(trifluoromethyl)-3-pyridinyl]ethenyl]quinolin-8-ol.

Molecular Properties

Compound Name5,7-dimethyl-2-[(E)-2-[6-(trifluoromethyl)-3-pyridinyl]ethenyl]quinolin-8-ol
PubChem CID118341306
Molecular FormulaC19H15F3N2O
Molecular Weight344.34 g/mol
Exact Mass344.11
IUPAC Name5,7-dimethyl-2-[(E)-2-[6-(trifluoromethyl)-3-pyridinyl]ethenyl]quinolin-8-ol
SMILESCc1cc(C)c2ccc(/C=C/c3ccc(C(F)(F)F)nc3)nc2c1O
InChIInChI=1S/C19H15F3N2O/c1-11-9-12(2)18(25)17-15(11)7-6-14(24-17)5-3-13-4-8-16(23-10-13)19(20,21)22/h3-10,25H,1-2H3/b5-3+
InChIKeyIJZYHYAOCLOWEA-HWKANZROSA-N
XLogP5.14
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.34
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2-[(E)-2-[6-(trifluoromethyl)-3-pyridinyl]ethenyl]quinolin-8-ol?
The IUPAC name of 5,7-dimethyl-2-[(E)-2-[6-(trifluoromethyl)-3-pyridinyl]ethenyl]quinolin-8-ol (CID 118341306) is 5,7-dimethyl-2-[(E)-2-[6-(trifluoromethyl)-3-pyridinyl]ethenyl]quinolin-8-ol.
What is the SMILES notation for 5,7-dimethyl-2-[(E)-2-[6-(trifluoromethyl)-3-pyridinyl]ethenyl]quinolin-8-ol?
The canonical SMILES for 5,7-dimethyl-2-[(E)-2-[6-(trifluoromethyl)-3-pyridinyl]ethenyl]quinolin-8-ol is Cc1cc(C)c2ccc(/C=C/c3ccc(C(F)(F)F)nc3)nc2c1O.
What is the InChIKey of 5,7-dimethyl-2-[(E)-2-[6-(trifluoromethyl)-3-pyridinyl]ethenyl]quinolin-8-ol?
The InChIKey is IJZYHYAOCLOWEA-HWKANZROSA-N. The full InChI is InChI=1S/C19H15F3N2O/c1-11-9-12(2)18(25)17-15(11)7-6-14(24-17)5-3-13-4-8-16(23-10-13)19(20,21)22/h3-10,25H,1-2H3/b5-3+.
What are the key properties of 5,7-dimethyl-2-[(E)-2-[6-(trifluoromethyl)-3-pyridinyl]ethenyl]quinolin-8-ol?
5,7-dimethyl-2-[(E)-2-[6-(trifluoromethyl)-3-pyridinyl]ethenyl]quinolin-8-ol has a molecular weight of 344.34 g/mol, XLogP of 5.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2-[(E)-2-[6-(trifluoromethyl)-3-pyridinyl]ethenyl]quinolin-8-ol is sourced from PubChem (CID 118341306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).