6-phenoxy-4-(trifluoromethyl)quinoline-3-carboxylic acid

C17H10F3NO3 — CID 16779821

IUPAC6-phenoxy-4-(trifluoromethyl)quinoline-3-carboxylic acid
SMILESO=C(O)c1cnc2ccc(Oc3ccccc3)cc2c1C(F)(F)F
InChIInChI=1S/C17H10F3NO3/c18-17(19,20)15-12-8-11(24-10-4-2-1-3-5-10)6-7-14(12)21-9-13(15)16(22)23/h1-9H,(H,22,23)
InChIKeySNBNMESJZKJLDC-UHFFFAOYSA-N
MW333.27 g/mol
LogP4.74
Rot. Bonds3

About 6-phenoxy-4-(trifluoromethyl)quinoline-3-carboxylic acid

6-phenoxy-4-(trifluoromethyl)quinoline-3-carboxylic acid (PubChem CID 16779821) has the molecular formula C17H10F3NO3 and a molecular weight of 333.27 g/mol. Its IUPAC name is 6-phenoxy-4-(trifluoromethyl)quinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-phenoxy-4-(trifluoromethyl)quinoline-3-carboxylic acid
PubChem CID16779821
Molecular FormulaC17H10F3NO3
Molecular Weight333.27 g/mol
Exact Mass333.06
IUPAC Name6-phenoxy-4-(trifluoromethyl)quinoline-3-carboxylic acid
SMILESO=C(O)c1cnc2ccc(Oc3ccccc3)cc2c1C(F)(F)F
InChIInChI=1S/C17H10F3NO3/c18-17(19,20)15-12-8-11(24-10-4-2-1-3-5-10)6-7-14(12)21-9-13(15)16(22)23/h1-9H,(H,22,23)
InChIKeySNBNMESJZKJLDC-UHFFFAOYSA-N
XLogP4.74
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-phenoxy-4-(trifluoromethyl)quinoline-3-carboxylic acid?
The IUPAC name of 6-phenoxy-4-(trifluoromethyl)quinoline-3-carboxylic acid (CID 16779821) is 6-phenoxy-4-(trifluoromethyl)quinoline-3-carboxylic acid.
What is the SMILES notation for 6-phenoxy-4-(trifluoromethyl)quinoline-3-carboxylic acid?
The canonical SMILES for 6-phenoxy-4-(trifluoromethyl)quinoline-3-carboxylic acid is O=C(O)c1cnc2ccc(Oc3ccccc3)cc2c1C(F)(F)F.
What is the InChIKey of 6-phenoxy-4-(trifluoromethyl)quinoline-3-carboxylic acid?
The InChIKey is SNBNMESJZKJLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3NO3/c18-17(19,20)15-12-8-11(24-10-4-2-1-3-5-10)6-7-14(12)21-9-13(15)16(22)23/h1-9H,(H,22,23).
What are the key properties of 6-phenoxy-4-(trifluoromethyl)quinoline-3-carboxylic acid?
6-phenoxy-4-(trifluoromethyl)quinoline-3-carboxylic acid has a molecular weight of 333.27 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenoxy-4-(trifluoromethyl)quinoline-3-carboxylic acid is sourced from PubChem (CID 16779821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).