methyl 2-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]acetate

C17H14N6O2 — CID 90086019

IUPACmethyl 2-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]acetate
SMILESCOC(=O)Cc1ccc(Nc2nc3ccccc3n3nnnc23)cc1
InChIInChI=1S/C17H14N6O2/c1-25-15(24)10-11-6-8-12(9-7-11)18-16-17-20-21-22-23(17)14-5-3-2-4-13(14)19-16/h2-9H,10H2,1H3,(H,18,19)
InChIKeyWFWUEEMKKQJBLF-UHFFFAOYSA-N
MW334.34 g/mol
LogP2.13
Rot. Bonds4

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

methyl 2-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]acetate (PubChem CID 90086019) has the molecular formula C17H14N6O2 and a molecular weight of 334.34 g/mol. Its IUPAC name is methyl 2-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]acetate
PubChem CID90086019
Molecular FormulaC17H14N6O2
Molecular Weight334.34 g/mol
Exact Mass334.12
IUPAC Namemethyl 2-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]acetate
SMILESCOC(=O)Cc1ccc(Nc2nc3ccccc3n3nnnc23)cc1
InChIInChI=1S/C17H14N6O2/c1-25-15(24)10-11-6-8-12(9-7-11)18-16-17-20-21-22-23(17)14-5-3-2-4-13(14)19-16/h2-9H,10H2,1H3,(H,18,19)
InChIKeyWFWUEEMKKQJBLF-UHFFFAOYSA-N
XLogP2.13
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]acetate?
The IUPAC name of methyl 2-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]acetate (CID 90086019) is methyl 2-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]acetate.
What is the SMILES notation for methyl 2-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]acetate?
The canonical SMILES for methyl 2-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]acetate is COC(=O)Cc1ccc(Nc2nc3ccccc3n3nnnc23)cc1.
What is the InChIKey of methyl 2-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]acetate?
The InChIKey is WFWUEEMKKQJBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O2/c1-25-15(24)10-11-6-8-12(9-7-11)18-16-17-20-21-22-23(17)14-5-3-2-4-13(14)19-16/h2-9H,10H2,1H3,(H,18,19).
What are the key properties of methyl 2-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]acetate?
methyl 2-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]acetate has a molecular weight of 334.34 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]acetate is sourced from PubChem (CID 90086019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).