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

C19H14F3NO — CID 166708097

IUPAC6-methoxy-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinoline
SMILESCOc1ccc2nc(C=Cc3ccc(C(F)(F)F)cc3)ccc2c1
InChIInChI=1S/C19H14F3NO/c1-24-17-10-11-18-14(12-17)5-9-16(23-18)8-4-13-2-6-15(7-3-13)19(20,21)22/h2-12H,1H3
InChIKeyWDBWUWWYAIKZNI-UHFFFAOYSA-N
MW329.32 g/mol
LogP5.43
Rot. Bonds3

About 6-methoxy-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinoline

6-methoxy-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinoline (PubChem CID 166708097) has the molecular formula C19H14F3NO and a molecular weight of 329.32 g/mol. Its IUPAC name is 6-methoxy-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinoline.

Molecular Properties

Compound Name6-methoxy-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinoline
PubChem CID166708097
Molecular FormulaC19H14F3NO
Molecular Weight329.32 g/mol
Exact Mass329.10
IUPAC Name6-methoxy-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinoline
SMILESCOc1ccc2nc(C=Cc3ccc(C(F)(F)F)cc3)ccc2c1
InChIInChI=1S/C19H14F3NO/c1-24-17-10-11-18-14(12-17)5-9-16(23-18)8-4-13-2-6-15(7-3-13)19(20,21)22/h2-12H,1H3
InChIKeyWDBWUWWYAIKZNI-UHFFFAOYSA-N
XLogP5.43
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.32
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinoline?
The IUPAC name of 6-methoxy-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinoline (CID 166708097) is 6-methoxy-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinoline.
What is the SMILES notation for 6-methoxy-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinoline?
The canonical SMILES for 6-methoxy-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinoline is COc1ccc2nc(C=Cc3ccc(C(F)(F)F)cc3)ccc2c1.
What is the InChIKey of 6-methoxy-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinoline?
The InChIKey is WDBWUWWYAIKZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3NO/c1-24-17-10-11-18-14(12-17)5-9-16(23-18)8-4-13-2-6-15(7-3-13)19(20,21)22/h2-12H,1H3.
What are the key properties of 6-methoxy-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinoline?
6-methoxy-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinoline has a molecular weight of 329.32 g/mol, XLogP of 5.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinoline is sourced from PubChem (CID 166708097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).