N-(2-phenylpropyl)-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide

C24H21N7O — CID 15990203

IUPACN-(2-phenylpropyl)-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide
SMILESCC(CNC(=O)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1)c1ccccc1
InChIInChI=1S/C24H21N7O/c1-16(17-7-3-2-4-8-17)15-25-24(32)18-11-13-19(14-12-18)26-22-23-28-29-30-31(23)21-10-6-5-9-20(21)27-22/h2-14,16H,15H2,1H3,(H,25,32)(H,26,27)
InChIKeyOIUBQDZSPLUSNM-UHFFFAOYSA-N
MW423.48 g/mol
LogP3.95
Rot. Bonds6

About N-(2-phenylpropyl)-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide

N-(2-phenylpropyl)-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide (PubChem CID 15990203) has the molecular formula C24H21N7O and a molecular weight of 423.48 g/mol. Its IUPAC name is N-(2-phenylpropyl)-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide.

Molecular Properties

Compound NameN-(2-phenylpropyl)-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide
PubChem CID15990203
Molecular FormulaC24H21N7O
Molecular Weight423.48 g/mol
Exact Mass423.18
IUPAC NameN-(2-phenylpropyl)-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide
SMILESCC(CNC(=O)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1)c1ccccc1
InChIInChI=1S/C24H21N7O/c1-16(17-7-3-2-4-8-17)15-25-24(32)18-11-13-19(14-12-18)26-22-23-28-29-30-31(23)21-10-6-5-9-20(21)27-22/h2-14,16H,15H2,1H3,(H,25,32)(H,26,27)
InChIKeyOIUBQDZSPLUSNM-UHFFFAOYSA-N
XLogP3.95
TPSA97.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.48
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylpropyl)-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide?
The IUPAC name of N-(2-phenylpropyl)-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide (CID 15990203) is N-(2-phenylpropyl)-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide.
What is the SMILES notation for N-(2-phenylpropyl)-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide?
The canonical SMILES for N-(2-phenylpropyl)-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide is CC(CNC(=O)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1)c1ccccc1.
What is the InChIKey of N-(2-phenylpropyl)-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide?
The InChIKey is OIUBQDZSPLUSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7O/c1-16(17-7-3-2-4-8-17)15-25-24(32)18-11-13-19(14-12-18)26-22-23-28-29-30-31(23)21-10-6-5-9-20(21)27-22/h2-14,16H,15H2,1H3,(H,25,32)(H,26,27).
What are the key properties of N-(2-phenylpropyl)-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide?
N-(2-phenylpropyl)-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide has a molecular weight of 423.48 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylpropyl)-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide is sourced from PubChem (CID 15990203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).