4-methyl-3-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzoic acid

C16H12N6O2 — CID 15989724

IUPAC4-methyl-3-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzoic acid
SMILESCc1ccc(C(=O)O)cc1Nc1nc2ccccc2n2nnnc12
InChIInChI=1S/C16H12N6O2/c1-9-6-7-10(16(23)24)8-12(9)18-14-15-19-20-21-22(15)13-5-3-2-4-11(13)17-14/h2-8H,1H3,(H,17,18)(H,23,24)
InChIKeyCYMFDGZHTOHMGN-UHFFFAOYSA-N
MW320.31 g/mol
LogP2.42
Rot. Bonds3

About 4-methyl-3-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzoic acid

4-methyl-3-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzoic acid (PubChem CID 15989724) has the molecular formula C16H12N6O2 and a molecular weight of 320.31 g/mol. Its IUPAC name is 4-methyl-3-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzoic acid.

Molecular Properties

Compound Name4-methyl-3-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzoic acid
PubChem CID15989724
Molecular FormulaC16H12N6O2
Molecular Weight320.31 g/mol
Exact Mass320.10
IUPAC Name4-methyl-3-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzoic acid
SMILESCc1ccc(C(=O)O)cc1Nc1nc2ccccc2n2nnnc12
InChIInChI=1S/C16H12N6O2/c1-9-6-7-10(16(23)24)8-12(9)18-14-15-19-20-21-22(15)13-5-3-2-4-11(13)17-14/h2-8H,1H3,(H,17,18)(H,23,24)
InChIKeyCYMFDGZHTOHMGN-UHFFFAOYSA-N
XLogP2.42
TPSA105.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

US11028054, Example 25
CID 146525397
4-([1,2,4]Triazolo[4,3-a]quinoxalin-4-ylamino)benzoic acid
CID 16010728
4-(4-Carbamoyl-1H-1,3-benzodiazol-2-YL)benzoic acid
CID 10755250
2-Biphenyl-4-yl-1H-benzoimidazole-4-carboxylic acid
CID 46945388
4-(Tetrazolo[1,5-a]quinoxalin-4-ylamino)benzoic acid
CID 73442462
2-Amino-1-[5-(hydroxymethyl)-2-methylphenyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 118386867
US11028054, Example 1
CID 135313564
2-Phenylbenzimidazole-4-carboxylic acid
CID 2771802
2-methyl-1H-1,3-benzodiazole-4-carboxylic acid
CID 10607360
3-(2-Amino-3-cyanopyrrolo[3,2-b]quinoxalin-1-yl)benzoic acid
CID 700996
4-(1H-Benzoimidazol-2-YL)-benzoic acid hydrochloride
CID 12004586
3-[(6-Benzoyl-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-4-methylbenzoic acid
CID 9952134

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzoic acid?
The IUPAC name of 4-methyl-3-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzoic acid (CID 15989724) is 4-methyl-3-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzoic acid.
What is the SMILES notation for 4-methyl-3-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzoic acid?
The canonical SMILES for 4-methyl-3-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzoic acid is Cc1ccc(C(=O)O)cc1Nc1nc2ccccc2n2nnnc12.
What is the InChIKey of 4-methyl-3-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzoic acid?
The InChIKey is CYMFDGZHTOHMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6O2/c1-9-6-7-10(16(23)24)8-12(9)18-14-15-19-20-21-22(15)13-5-3-2-4-11(13)17-14/h2-8H,1H3,(H,17,18)(H,23,24).
What are the key properties of 4-methyl-3-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzoic acid?
4-methyl-3-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzoic acid has a molecular weight of 320.31 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzoic acid is sourced from PubChem (CID 15989724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).