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

C24H21N7O — CID 15990020

IUPACN-[2-(4-methylphenyl)ethyl]-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide
SMILESCc1ccc(CCNC(=O)c2ccc(Nc3nc4ccccc4n4nnnc34)cc2)cc1
InChIInChI=1S/C24H21N7O/c1-16-6-8-17(9-7-16)14-15-25-24(32)18-10-12-19(13-11-18)26-22-23-28-29-30-31(23)21-5-3-2-4-20(21)27-22/h2-13H,14-15H2,1H3,(H,25,32)(H,26,27)
InChIKeyPDCVOLIIZKWPOO-UHFFFAOYSA-N
MW423.48 g/mol
LogP3.70
Rot. Bonds6

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

N-[2-(4-methylphenyl)ethyl]-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide (PubChem CID 15990020) has the molecular formula C24H21N7O and a molecular weight of 423.48 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)ethyl]-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)ethyl]-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide
PubChem CID15990020
Molecular FormulaC24H21N7O
Molecular Weight423.48 g/mol
Exact Mass423.18
IUPAC NameN-[2-(4-methylphenyl)ethyl]-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide
SMILESCc1ccc(CCNC(=O)c2ccc(Nc3nc4ccccc4n4nnnc34)cc2)cc1
InChIInChI=1S/C24H21N7O/c1-16-6-8-17(9-7-16)14-15-25-24(32)18-10-12-19(13-11-18)26-22-23-28-29-30-31(23)21-5-3-2-4-20(21)27-22/h2-13H,14-15H2,1H3,(H,25,32)(H,26,27)
InChIKeyPDCVOLIIZKWPOO-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)ethyl]-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide?
The IUPAC name of N-[2-(4-methylphenyl)ethyl]-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide (CID 15990020) is N-[2-(4-methylphenyl)ethyl]-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide.
What is the SMILES notation for N-[2-(4-methylphenyl)ethyl]-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide?
The canonical SMILES for N-[2-(4-methylphenyl)ethyl]-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide is Cc1ccc(CCNC(=O)c2ccc(Nc3nc4ccccc4n4nnnc34)cc2)cc1.
What is the InChIKey of N-[2-(4-methylphenyl)ethyl]-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide?
The InChIKey is PDCVOLIIZKWPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7O/c1-16-6-8-17(9-7-16)14-15-25-24(32)18-10-12-19(13-11-18)26-22-23-28-29-30-31(23)21-5-3-2-4-20(21)27-22/h2-13H,14-15H2,1H3,(H,25,32)(H,26,27).
What are the key properties of N-[2-(4-methylphenyl)ethyl]-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide?
N-[2-(4-methylphenyl)ethyl]-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide has a molecular weight of 423.48 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)ethyl]-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide is sourced from PubChem (CID 15990020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).