sodium 8-(trifluoromethoxy)tetrazolo[1,5-a]quinoline-4-carboxylate

C11H4F3N4NaO3 — CID 23674784

IUPACsodium 8-(trifluoromethoxy)tetrazolo[1,5-a]quinoline-4-carboxylate
SMILESO=C([O-])c1cc2ccc(OC(F)(F)F)cc2n2nnnc12.[Na+]
InChIInChI=1S/C11H5F3N4O3.Na/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);/q;+1/p-1
InChIKeyUGGODVQRPGUZQJ-UHFFFAOYSA-M
MW320.16 g/mol
LogP-2.46
Rot. Bonds2

About sodium 8-(trifluoromethoxy)tetrazolo[1,5-a]quinoline-4-carboxylate

sodium 8-(trifluoromethoxy)tetrazolo[1,5-a]quinoline-4-carboxylate (PubChem CID 23674784) has the molecular formula C11H4F3N4NaO3 and a molecular weight of 320.16 g/mol. Its IUPAC name is sodium 8-(trifluoromethoxy)tetrazolo[1,5-a]quinoline-4-carboxylate.

Molecular Properties

Compound Namesodium 8-(trifluoromethoxy)tetrazolo[1,5-a]quinoline-4-carboxylate
PubChem CID23674784
Molecular FormulaC11H4F3N4NaO3
Molecular Weight320.16 g/mol
Exact Mass320.01
IUPAC Namesodium 8-(trifluoromethoxy)tetrazolo[1,5-a]quinoline-4-carboxylate
SMILESO=C([O-])c1cc2ccc(OC(F)(F)F)cc2n2nnnc12.[Na+]
InChIInChI=1S/C11H5F3N4O3.Na/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);/q;+1/p-1
InChIKeyUGGODVQRPGUZQJ-UHFFFAOYSA-M
XLogP-2.46
TPSA92.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.16
LogP ≤ 5-2.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of sodium 8-(trifluoromethoxy)tetrazolo[1,5-a]quinoline-4-carboxylate?
The IUPAC name of sodium 8-(trifluoromethoxy)tetrazolo[1,5-a]quinoline-4-carboxylate (CID 23674784) is sodium 8-(trifluoromethoxy)tetrazolo[1,5-a]quinoline-4-carboxylate.
What is the SMILES notation for sodium 8-(trifluoromethoxy)tetrazolo[1,5-a]quinoline-4-carboxylate?
The canonical SMILES for sodium 8-(trifluoromethoxy)tetrazolo[1,5-a]quinoline-4-carboxylate is O=C([O-])c1cc2ccc(OC(F)(F)F)cc2n2nnnc12.[Na+].
What is the InChIKey of sodium 8-(trifluoromethoxy)tetrazolo[1,5-a]quinoline-4-carboxylate?
The InChIKey is UGGODVQRPGUZQJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H5F3N4O3.Na/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);/q;+1/p-1.
What are the key properties of sodium 8-(trifluoromethoxy)tetrazolo[1,5-a]quinoline-4-carboxylate?
sodium 8-(trifluoromethoxy)tetrazolo[1,5-a]quinoline-4-carboxylate has a molecular weight of 320.16 g/mol, XLogP of -2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 8-(trifluoromethoxy)tetrazolo[1,5-a]quinoline-4-carboxylate is sourced from PubChem (CID 23674784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).