ethyl 9-methoxytetrazolo[1,5-a]quinoline-4-carboxylate

C13H12N4O3 — CID 59696689

IUPACethyl 9-methoxytetrazolo[1,5-a]quinoline-4-carboxylate
SMILESCCOC(=O)c1cc2cccc(OC)c2n2nnnc12
InChIInChI=1S/C13H12N4O3/c1-3-20-13(18)9-7-8-5-4-6-10(19-2)11(8)17-12(9)14-15-16-17/h4-7H,3H2,1-2H3
InChIKeyBOJYOLGGAAWRPQ-UHFFFAOYSA-N
MW272.26 g/mol
LogP1.46
Rot. Bonds3

About ethyl 9-methoxytetrazolo[1,5-a]quinoline-4-carboxylate

ethyl 9-methoxytetrazolo[1,5-a]quinoline-4-carboxylate (PubChem CID 59696689) has the molecular formula C13H12N4O3 and a molecular weight of 272.26 g/mol. Its IUPAC name is ethyl 9-methoxytetrazolo[1,5-a]quinoline-4-carboxylate.

Molecular Properties

Compound Nameethyl 9-methoxytetrazolo[1,5-a]quinoline-4-carboxylate
PubChem CID59696689
Molecular FormulaC13H12N4O3
Molecular Weight272.26 g/mol
Exact Mass272.09
IUPAC Nameethyl 9-methoxytetrazolo[1,5-a]quinoline-4-carboxylate
SMILESCCOC(=O)c1cc2cccc(OC)c2n2nnnc12
InChIInChI=1S/C13H12N4O3/c1-3-20-13(18)9-7-8-5-4-6-10(19-2)11(8)17-12(9)14-15-16-17/h4-7H,3H2,1-2H3
InChIKeyBOJYOLGGAAWRPQ-UHFFFAOYSA-N
XLogP1.46
TPSA78.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 9-methoxytetrazolo[1,5-a]quinoline-4-carboxylate?
The IUPAC name of ethyl 9-methoxytetrazolo[1,5-a]quinoline-4-carboxylate (CID 59696689) is ethyl 9-methoxytetrazolo[1,5-a]quinoline-4-carboxylate.
What is the SMILES notation for ethyl 9-methoxytetrazolo[1,5-a]quinoline-4-carboxylate?
The canonical SMILES for ethyl 9-methoxytetrazolo[1,5-a]quinoline-4-carboxylate is CCOC(=O)c1cc2cccc(OC)c2n2nnnc12.
What is the InChIKey of ethyl 9-methoxytetrazolo[1,5-a]quinoline-4-carboxylate?
The InChIKey is BOJYOLGGAAWRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3/c1-3-20-13(18)9-7-8-5-4-6-10(19-2)11(8)17-12(9)14-15-16-17/h4-7H,3H2,1-2H3.
What are the key properties of ethyl 9-methoxytetrazolo[1,5-a]quinoline-4-carboxylate?
ethyl 9-methoxytetrazolo[1,5-a]quinoline-4-carboxylate has a molecular weight of 272.26 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 9-methoxytetrazolo[1,5-a]quinoline-4-carboxylate is sourced from PubChem (CID 59696689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).