4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzoic acid

C15H10N6O2 — CID 73442462

IUPAC4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzoic acid
SMILESO=C(O)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1
InChIInChI=1S/C15H10N6O2/c22-15(23)9-5-7-10(8-6-9)16-13-14-18-19-20-21(14)12-4-2-1-3-11(12)17-13/h1-8H,(H,16,17)(H,22,23)
InChIKeyJSAHWQGZZIADQC-UHFFFAOYSA-N
MW306.29 g/mol
LogP2.11
Rot. Bonds3

About 4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzoic acid

4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzoic acid (PubChem CID 73442462) has the molecular formula C15H10N6O2 and a molecular weight of 306.29 g/mol. Its IUPAC name is 4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzoic acid.

Molecular Properties

Compound Name4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzoic acid
PubChem CID73442462
Molecular FormulaC15H10N6O2
Molecular Weight306.29 g/mol
Exact Mass306.09
IUPAC Name4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzoic acid
SMILESO=C(O)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1
InChIInChI=1S/C15H10N6O2/c22-15(23)9-5-7-10(8-6-9)16-13-14-18-19-20-21(14)12-4-2-1-3-11(12)17-13/h1-8H,(H,16,17)(H,22,23)
InChIKeyJSAHWQGZZIADQC-UHFFFAOYSA-N
XLogP2.11
TPSA105.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzoic acid?
The IUPAC name of 4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzoic acid (CID 73442462) is 4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzoic acid.
What is the SMILES notation for 4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzoic acid?
The canonical SMILES for 4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzoic acid is O=C(O)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1.
What is the InChIKey of 4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzoic acid?
The InChIKey is JSAHWQGZZIADQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N6O2/c22-15(23)9-5-7-10(8-6-9)16-13-14-18-19-20-21(14)12-4-2-1-3-11(12)17-13/h1-8H,(H,16,17)(H,22,23).
What are the key properties of 4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzoic acid?
4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzoic acid has a molecular weight of 306.29 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzoic acid is sourced from PubChem (CID 73442462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).