8-(trifluoromethoxy)tetrazolo[1,5-a]quinoline-4-carboxylic acid

C11H5F3N4O3 — CID 11347745

IUPAC8-(trifluoromethoxy)tetrazolo[1,5-a]quinoline-4-carboxylic acid
SMILESO=C(O)c1cc2ccc(OC(F)(F)F)cc2n2nnnc12
InChIInChI=1S/C11H5F3N4O3/c12-11(13,14)21-6-2-1-5-3-7(10(19)20)9-15-16-17-18(9)8(5)4-6/h1-4H,(H,19,20)
InChIKeyICVNUJBAFJWFQH-UHFFFAOYSA-N
MW298.18 g/mol
LogP1.87
Rot. Bonds2

About 8-(trifluoromethoxy)tetrazolo[1,5-a]quinoline-4-carboxylic acid

8-(trifluoromethoxy)tetrazolo[1,5-a]quinoline-4-carboxylic acid (PubChem CID 11347745) has the molecular formula C11H5F3N4O3 and a molecular weight of 298.18 g/mol. Its IUPAC name is 8-(trifluoromethoxy)tetrazolo[1,5-a]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name8-(trifluoromethoxy)tetrazolo[1,5-a]quinoline-4-carboxylic acid
PubChem CID11347745
Molecular FormulaC11H5F3N4O3
Molecular Weight298.18 g/mol
Exact Mass298.03
IUPAC Name8-(trifluoromethoxy)tetrazolo[1,5-a]quinoline-4-carboxylic acid
SMILESO=C(O)c1cc2ccc(OC(F)(F)F)cc2n2nnnc12
InChIInChI=1S/C11H5F3N4O3/c12-11(13,14)21-6-2-1-5-3-7(10(19)20)9-15-16-17-18(9)8(5)4-6/h1-4H,(H,19,20)
InChIKeyICVNUJBAFJWFQH-UHFFFAOYSA-N
XLogP1.87
TPSA89.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(trifluoromethoxy)tetrazolo[1,5-a]quinoline-4-carboxylic acid?
The IUPAC name of 8-(trifluoromethoxy)tetrazolo[1,5-a]quinoline-4-carboxylic acid (CID 11347745) is 8-(trifluoromethoxy)tetrazolo[1,5-a]quinoline-4-carboxylic acid.
What is the SMILES notation for 8-(trifluoromethoxy)tetrazolo[1,5-a]quinoline-4-carboxylic acid?
The canonical SMILES for 8-(trifluoromethoxy)tetrazolo[1,5-a]quinoline-4-carboxylic acid is O=C(O)c1cc2ccc(OC(F)(F)F)cc2n2nnnc12.
What is the InChIKey of 8-(trifluoromethoxy)tetrazolo[1,5-a]quinoline-4-carboxylic acid?
The InChIKey is ICVNUJBAFJWFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F3N4O3/c12-11(13,14)21-6-2-1-5-3-7(10(19)20)9-15-16-17-18(9)8(5)4-6/h1-4H,(H,19,20).
What are the key properties of 8-(trifluoromethoxy)tetrazolo[1,5-a]quinoline-4-carboxylic acid?
8-(trifluoromethoxy)tetrazolo[1,5-a]quinoline-4-carboxylic acid has a molecular weight of 298.18 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(trifluoromethoxy)tetrazolo[1,5-a]quinoline-4-carboxylic acid is sourced from PubChem (CID 11347745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).