6-imidazol-1-yl-2-[4-(trifluoromethoxy)phenyl]quinoline

C19H12F3N3O — CID 44603409

IUPAC6-imidazol-1-yl-2-[4-(trifluoromethoxy)phenyl]quinoline
SMILESFC(F)(F)Oc1ccc(-c2ccc3cc(-n4ccnc4)ccc3n2)cc1
InChIInChI=1S/C19H12F3N3O/c20-19(21,22)26-16-5-1-13(2-6-16)17-7-3-14-11-15(4-8-18(14)24-17)25-10-9-23-12-25/h1-12H
InChIKeyGDUPUADAFLITQY-UHFFFAOYSA-N
MW355.32 g/mol
LogP4.99
Rot. Bonds3

About 6-imidazol-1-yl-2-[4-(trifluoromethoxy)phenyl]quinoline

6-imidazol-1-yl-2-[4-(trifluoromethoxy)phenyl]quinoline (PubChem CID 44603409) has the molecular formula C19H12F3N3O and a molecular weight of 355.32 g/mol. Its IUPAC name is 6-imidazol-1-yl-2-[4-(trifluoromethoxy)phenyl]quinoline.

Molecular Properties

Compound Name6-imidazol-1-yl-2-[4-(trifluoromethoxy)phenyl]quinoline
PubChem CID44603409
Molecular FormulaC19H12F3N3O
Molecular Weight355.32 g/mol
Exact Mass355.09
IUPAC Name6-imidazol-1-yl-2-[4-(trifluoromethoxy)phenyl]quinoline
SMILESFC(F)(F)Oc1ccc(-c2ccc3cc(-n4ccnc4)ccc3n2)cc1
InChIInChI=1S/C19H12F3N3O/c20-19(21,22)26-16-5-1-13(2-6-16)17-7-3-14-11-15(4-8-18(14)24-17)25-10-9-23-12-25/h1-12H
InChIKeyGDUPUADAFLITQY-UHFFFAOYSA-N
XLogP4.99
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-2-[4-(trifluoromethoxy)phenyl]quinoline?
The IUPAC name of 6-imidazol-1-yl-2-[4-(trifluoromethoxy)phenyl]quinoline (CID 44603409) is 6-imidazol-1-yl-2-[4-(trifluoromethoxy)phenyl]quinoline.
What is the SMILES notation for 6-imidazol-1-yl-2-[4-(trifluoromethoxy)phenyl]quinoline?
The canonical SMILES for 6-imidazol-1-yl-2-[4-(trifluoromethoxy)phenyl]quinoline is FC(F)(F)Oc1ccc(-c2ccc3cc(-n4ccnc4)ccc3n2)cc1.
What is the InChIKey of 6-imidazol-1-yl-2-[4-(trifluoromethoxy)phenyl]quinoline?
The InChIKey is GDUPUADAFLITQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N3O/c20-19(21,22)26-16-5-1-13(2-6-16)17-7-3-14-11-15(4-8-18(14)24-17)25-10-9-23-12-25/h1-12H.
What are the key properties of 6-imidazol-1-yl-2-[4-(trifluoromethoxy)phenyl]quinoline?
6-imidazol-1-yl-2-[4-(trifluoromethoxy)phenyl]quinoline has a molecular weight of 355.32 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-2-[4-(trifluoromethoxy)phenyl]quinoline is sourced from PubChem (CID 44603409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).