6-methoxy-8-(trifluoromethyl)tetrazolo[1,5-a]quinoline-4-carboxylic acid

C12H7F3N4O3 — CID 59696666

IUPAC6-methoxy-8-(trifluoromethyl)tetrazolo[1,5-a]quinoline-4-carboxylic acid
SMILESCOc1cc(C(F)(F)F)cc2c1cc(C(=O)O)c1nnnn12
InChIInChI=1S/C12H7F3N4O3/c1-22-9-3-5(12(13,14)15)2-8-6(9)4-7(11(20)21)10-16-17-18-19(8)10/h2-4H,1H3,(H,20,21)
InChIKeyCTWLTORSFSNCCS-UHFFFAOYSA-N
MW312.21 g/mol
LogP2.00
Rot. Bonds2

About 6-methoxy-8-(trifluoromethyl)tetrazolo[1,5-a]quinoline-4-carboxylic acid

6-methoxy-8-(trifluoromethyl)tetrazolo[1,5-a]quinoline-4-carboxylic acid (PubChem CID 59696666) has the molecular formula C12H7F3N4O3 and a molecular weight of 312.21 g/mol. Its IUPAC name is 6-methoxy-8-(trifluoromethyl)tetrazolo[1,5-a]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-methoxy-8-(trifluoromethyl)tetrazolo[1,5-a]quinoline-4-carboxylic acid
PubChem CID59696666
Molecular FormulaC12H7F3N4O3
Molecular Weight312.21 g/mol
Exact Mass312.05
IUPAC Name6-methoxy-8-(trifluoromethyl)tetrazolo[1,5-a]quinoline-4-carboxylic acid
SMILESCOc1cc(C(F)(F)F)cc2c1cc(C(=O)O)c1nnnn12
InChIInChI=1S/C12H7F3N4O3/c1-22-9-3-5(12(13,14)15)2-8-6(9)4-7(11(20)21)10-16-17-18-19(8)10/h2-4H,1H3,(H,20,21)
InChIKeyCTWLTORSFSNCCS-UHFFFAOYSA-N
XLogP2.00
TPSA89.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-8-(trifluoromethyl)tetrazolo[1,5-a]quinoline-4-carboxylic acid?
The IUPAC name of 6-methoxy-8-(trifluoromethyl)tetrazolo[1,5-a]quinoline-4-carboxylic acid (CID 59696666) is 6-methoxy-8-(trifluoromethyl)tetrazolo[1,5-a]quinoline-4-carboxylic acid.
What is the SMILES notation for 6-methoxy-8-(trifluoromethyl)tetrazolo[1,5-a]quinoline-4-carboxylic acid?
The canonical SMILES for 6-methoxy-8-(trifluoromethyl)tetrazolo[1,5-a]quinoline-4-carboxylic acid is COc1cc(C(F)(F)F)cc2c1cc(C(=O)O)c1nnnn12.
What is the InChIKey of 6-methoxy-8-(trifluoromethyl)tetrazolo[1,5-a]quinoline-4-carboxylic acid?
The InChIKey is CTWLTORSFSNCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N4O3/c1-22-9-3-5(12(13,14)15)2-8-6(9)4-7(11(20)21)10-16-17-18-19(8)10/h2-4H,1H3,(H,20,21).
What are the key properties of 6-methoxy-8-(trifluoromethyl)tetrazolo[1,5-a]quinoline-4-carboxylic acid?
6-methoxy-8-(trifluoromethyl)tetrazolo[1,5-a]quinoline-4-carboxylic acid has a molecular weight of 312.21 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-8-(trifluoromethyl)tetrazolo[1,5-a]quinoline-4-carboxylic acid is sourced from PubChem (CID 59696666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).