2-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]acetic acid

C16H12N6O2 — CID 6619333

IUPAC2-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(Nc2nc3ccccc3n3nnnc23)cc1
InChIInChI=1S/C16H12N6O2/c23-14(24)9-10-5-7-11(8-6-10)17-15-16-19-20-21-22(16)13-4-2-1-3-12(13)18-15/h1-8H,9H2,(H,17,18)(H,23,24)
InChIKeyFKTHTXAGOLMOOX-UHFFFAOYSA-N
MW320.31 g/mol
LogP2.04
Rot. Bonds4

About 2-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]acetic acid

2-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]acetic acid (PubChem CID 6619333) has the molecular formula C16H12N6O2 and a molecular weight of 320.31 g/mol. Its IUPAC name is 2-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]acetic acid
PubChem CID6619333
Molecular FormulaC16H12N6O2
Molecular Weight320.31 g/mol
Exact Mass320.10
IUPAC Name2-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(Nc2nc3ccccc3n3nnnc23)cc1
InChIInChI=1S/C16H12N6O2/c23-14(24)9-10-5-7-11(8-6-10)17-15-16-19-20-21-22(16)13-4-2-1-3-12(13)18-15/h1-8H,9H2,(H,17,18)(H,23,24)
InChIKeyFKTHTXAGOLMOOX-UHFFFAOYSA-N
XLogP2.04
TPSA105.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]acetic acid?
The IUPAC name of 2-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]acetic acid (CID 6619333) is 2-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]acetic acid?
The canonical SMILES for 2-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]acetic acid is O=C(O)Cc1ccc(Nc2nc3ccccc3n3nnnc23)cc1.
What is the InChIKey of 2-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]acetic acid?
The InChIKey is FKTHTXAGOLMOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6O2/c23-14(24)9-10-5-7-11(8-6-10)17-15-16-19-20-21-22(16)13-4-2-1-3-12(13)18-15/h1-8H,9H2,(H,17,18)(H,23,24).
What are the key properties of 2-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]acetic acid?
2-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]acetic acid has a molecular weight of 320.31 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]acetic acid is sourced from PubChem (CID 6619333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).