N-(1-phenylethyl)-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide

C23H19N7O — CID 15990289

IUPACN-(1-phenylethyl)-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide
SMILESCC(NC(=O)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1)c1ccccc1
InChIInChI=1S/C23H19N7O/c1-15(16-7-3-2-4-8-16)24-23(31)17-11-13-18(14-12-17)25-21-22-27-28-29-30(22)20-10-6-5-9-19(20)26-21/h2-15H,1H3,(H,24,31)(H,25,26)
InChIKeyRYXOMDRNRAVSQH-UHFFFAOYSA-N
MW409.45 g/mol
LogP3.91
Rot. Bonds5

About N-(1-phenylethyl)-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide

N-(1-phenylethyl)-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide (PubChem CID 15990289) has the molecular formula C23H19N7O and a molecular weight of 409.45 g/mol. Its IUPAC name is N-(1-phenylethyl)-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide
PubChem CID15990289
Molecular FormulaC23H19N7O
Molecular Weight409.45 g/mol
Exact Mass409.17
IUPAC NameN-(1-phenylethyl)-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide
SMILESCC(NC(=O)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1)c1ccccc1
InChIInChI=1S/C23H19N7O/c1-15(16-7-3-2-4-8-16)24-23(31)17-11-13-18(14-12-17)25-21-22-27-28-29-30(22)20-10-6-5-9-19(20)26-21/h2-15H,1H3,(H,24,31)(H,25,26)
InChIKeyRYXOMDRNRAVSQH-UHFFFAOYSA-N
XLogP3.91
TPSA97.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide?
The IUPAC name of N-(1-phenylethyl)-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide (CID 15990289) is N-(1-phenylethyl)-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide.
What is the SMILES notation for N-(1-phenylethyl)-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide?
The canonical SMILES for N-(1-phenylethyl)-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide is CC(NC(=O)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide?
The InChIKey is RYXOMDRNRAVSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7O/c1-15(16-7-3-2-4-8-16)24-23(31)17-11-13-18(14-12-17)25-21-22-27-28-29-30(22)20-10-6-5-9-19(20)26-21/h2-15H,1H3,(H,24,31)(H,25,26).
What are the key properties of N-(1-phenylethyl)-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide?
N-(1-phenylethyl)-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide has a molecular weight of 409.45 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide is sourced from PubChem (CID 15990289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).