7-phenoxytetrazolo[1,5-a]quinoline-4-carboxylic acid

C16H10N4O3 — CID 90489613

IUPAC7-phenoxytetrazolo[1,5-a]quinoline-4-carboxylic acid
SMILESO=C(O)c1cc2cc(Oc3ccccc3)ccc2n2nnnc12
InChIInChI=1S/C16H10N4O3/c21-16(22)13-9-10-8-12(23-11-4-2-1-3-5-11)6-7-14(10)20-15(13)17-18-19-20/h1-9H,(H,21,22)
InChIKeyGZBJTYDRFZXOKP-UHFFFAOYSA-N
MW306.28 g/mol
LogP2.77
Rot. Bonds3

About 7-phenoxytetrazolo[1,5-a]quinoline-4-carboxylic acid

7-phenoxytetrazolo[1,5-a]quinoline-4-carboxylic acid (PubChem CID 90489613) has the molecular formula C16H10N4O3 and a molecular weight of 306.28 g/mol. Its IUPAC name is 7-phenoxytetrazolo[1,5-a]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name7-phenoxytetrazolo[1,5-a]quinoline-4-carboxylic acid
PubChem CID90489613
Molecular FormulaC16H10N4O3
Molecular Weight306.28 g/mol
Exact Mass306.08
IUPAC Name7-phenoxytetrazolo[1,5-a]quinoline-4-carboxylic acid
SMILESO=C(O)c1cc2cc(Oc3ccccc3)ccc2n2nnnc12
InChIInChI=1S/C16H10N4O3/c21-16(22)13-9-10-8-12(23-11-4-2-1-3-5-11)6-7-14(10)20-15(13)17-18-19-20/h1-9H,(H,21,22)
InChIKeyGZBJTYDRFZXOKP-UHFFFAOYSA-N
XLogP2.77
TPSA89.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-phenoxytetrazolo[1,5-a]quinoline-4-carboxylic acid?
The IUPAC name of 7-phenoxytetrazolo[1,5-a]quinoline-4-carboxylic acid (CID 90489613) is 7-phenoxytetrazolo[1,5-a]quinoline-4-carboxylic acid.
What is the SMILES notation for 7-phenoxytetrazolo[1,5-a]quinoline-4-carboxylic acid?
The canonical SMILES for 7-phenoxytetrazolo[1,5-a]quinoline-4-carboxylic acid is O=C(O)c1cc2cc(Oc3ccccc3)ccc2n2nnnc12.
What is the InChIKey of 7-phenoxytetrazolo[1,5-a]quinoline-4-carboxylic acid?
The InChIKey is GZBJTYDRFZXOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4O3/c21-16(22)13-9-10-8-12(23-11-4-2-1-3-5-11)6-7-14(10)20-15(13)17-18-19-20/h1-9H,(H,21,22).
What are the key properties of 7-phenoxytetrazolo[1,5-a]quinoline-4-carboxylic acid?
7-phenoxytetrazolo[1,5-a]quinoline-4-carboxylic acid has a molecular weight of 306.28 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenoxytetrazolo[1,5-a]quinoline-4-carboxylic acid is sourced from PubChem (CID 90489613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).