N-methyl-N-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]acetamide

C17H15N7O — CID 73442700

IUPACN-methyl-N-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]acetamide
SMILESCC(=O)N(C)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1
InChIInChI=1S/C17H15N7O/c1-11(25)23(2)13-9-7-12(8-10-13)18-16-17-20-21-22-24(17)15-6-4-3-5-14(15)19-16/h3-10H,1-2H3,(H,18,19)
InChIKeyWVFAPFDFOZWRQY-UHFFFAOYSA-N
MW333.36 g/mol
LogP2.40
Rot. Bonds3

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

N-methyl-N-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]acetamide (PubChem CID 73442700) has the molecular formula C17H15N7O and a molecular weight of 333.36 g/mol. Its IUPAC name is N-methyl-N-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]acetamide
PubChem CID73442700
Molecular FormulaC17H15N7O
Molecular Weight333.36 g/mol
Exact Mass333.13
IUPAC NameN-methyl-N-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]acetamide
SMILESCC(=O)N(C)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1
InChIInChI=1S/C17H15N7O/c1-11(25)23(2)13-9-7-12(8-10-13)18-16-17-20-21-22-24(17)15-6-4-3-5-14(15)19-16/h3-10H,1-2H3,(H,18,19)
InChIKeyWVFAPFDFOZWRQY-UHFFFAOYSA-N
XLogP2.40
TPSA88.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]acetamide?
The IUPAC name of N-methyl-N-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]acetamide (CID 73442700) is N-methyl-N-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]acetamide.
What is the SMILES notation for N-methyl-N-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]acetamide?
The canonical SMILES for N-methyl-N-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]acetamide is CC(=O)N(C)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1.
What is the InChIKey of N-methyl-N-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]acetamide?
The InChIKey is WVFAPFDFOZWRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7O/c1-11(25)23(2)13-9-7-12(8-10-13)18-16-17-20-21-22-24(17)15-6-4-3-5-14(15)19-16/h3-10H,1-2H3,(H,18,19).
What are the key properties of N-methyl-N-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]acetamide?
N-methyl-N-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]acetamide has a molecular weight of 333.36 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]acetamide is sourced from PubChem (CID 73442700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).