9-methoxytetrazolo[1,5-a]quinoline-4-carboxylic acid

C11H8N4O3 — CID 59696652

IUPAC9-methoxytetrazolo[1,5-a]quinoline-4-carboxylic acid
SMILESCOc1cccc2cc(C(=O)O)c3nnnn3c12
InChIInChI=1S/C11H8N4O3/c1-18-8-4-2-3-6-5-7(11(16)17)10-12-13-14-15(10)9(6)8/h2-5H,1H3,(H,16,17)
InChIKeyLEBIHZRZVKWPJT-UHFFFAOYSA-N
MW244.21 g/mol
LogP0.98
Rot. Bonds2

About 9-methoxytetrazolo[1,5-a]quinoline-4-carboxylic acid

9-methoxytetrazolo[1,5-a]quinoline-4-carboxylic acid (PubChem CID 59696652) has the molecular formula C11H8N4O3 and a molecular weight of 244.21 g/mol. Its IUPAC name is 9-methoxytetrazolo[1,5-a]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name9-methoxytetrazolo[1,5-a]quinoline-4-carboxylic acid
PubChem CID59696652
Molecular FormulaC11H8N4O3
Molecular Weight244.21 g/mol
Exact Mass244.06
IUPAC Name9-methoxytetrazolo[1,5-a]quinoline-4-carboxylic acid
SMILESCOc1cccc2cc(C(=O)O)c3nnnn3c12
InChIInChI=1S/C11H8N4O3/c1-18-8-4-2-3-6-5-7(11(16)17)10-12-13-14-15(10)9(6)8/h2-5H,1H3,(H,16,17)
InChIKeyLEBIHZRZVKWPJT-UHFFFAOYSA-N
XLogP0.98
TPSA89.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-methoxytetrazolo[1,5-a]quinoline-4-carboxylic acid?
The IUPAC name of 9-methoxytetrazolo[1,5-a]quinoline-4-carboxylic acid (CID 59696652) is 9-methoxytetrazolo[1,5-a]quinoline-4-carboxylic acid.
What is the SMILES notation for 9-methoxytetrazolo[1,5-a]quinoline-4-carboxylic acid?
The canonical SMILES for 9-methoxytetrazolo[1,5-a]quinoline-4-carboxylic acid is COc1cccc2cc(C(=O)O)c3nnnn3c12.
What is the InChIKey of 9-methoxytetrazolo[1,5-a]quinoline-4-carboxylic acid?
The InChIKey is LEBIHZRZVKWPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O3/c1-18-8-4-2-3-6-5-7(11(16)17)10-12-13-14-15(10)9(6)8/h2-5H,1H3,(H,16,17).
What are the key properties of 9-methoxytetrazolo[1,5-a]quinoline-4-carboxylic acid?
9-methoxytetrazolo[1,5-a]quinoline-4-carboxylic acid has a molecular weight of 244.21 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxytetrazolo[1,5-a]quinoline-4-carboxylic acid is sourced from PubChem (CID 59696652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).