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

C23H19N7O2 — CID 15990023

IUPACN-[(2-methoxyphenyl)methyl]-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide
SMILESCOc1ccccc1CNC(=O)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1
InChIInChI=1S/C23H19N7O2/c1-32-20-9-5-2-6-16(20)14-24-23(31)15-10-12-17(13-11-15)25-21-22-27-28-29-30(22)19-8-4-3-7-18(19)26-21/h2-13H,14H2,1H3,(H,24,31)(H,25,26)
InChIKeyYAOMHVGVEBIRQD-UHFFFAOYSA-N
MW425.45 g/mol
LogP3.35
Rot. Bonds6

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

N-[(2-methoxyphenyl)methyl]-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide (PubChem CID 15990023) has the molecular formula C23H19N7O2 and a molecular weight of 425.45 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide
PubChem CID15990023
Molecular FormulaC23H19N7O2
Molecular Weight425.45 g/mol
Exact Mass425.16
IUPAC NameN-[(2-methoxyphenyl)methyl]-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide
SMILESCOc1ccccc1CNC(=O)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1
InChIInChI=1S/C23H19N7O2/c1-32-20-9-5-2-6-16(20)14-24-23(31)15-10-12-17(13-11-15)25-21-22-27-28-29-30(22)19-8-4-3-7-18(19)26-21/h2-13H,14H2,1H3,(H,24,31)(H,25,26)
InChIKeyYAOMHVGVEBIRQD-UHFFFAOYSA-N
XLogP3.35
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.45
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-(2-chloro-5-methoxyphenyl)-4-methyl-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
CID 137349274
[4-[[7-(2-Methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
CID 56951311
N-(2-benzyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-8-yl)-2-methoxybenzamide
CID 1509330
2-(4-(2-(1-acetylpiperidin-2-yl)ethoxy)phenyl)-1H-benzo[d]imidazole-5-carboxamide
CID 11495159
2-(4-(2-(1-benzoylpiperidin-2-yl)ethoxy)phenyl)-1H-benzo[d]imidazole-5-carboxamide
CID 11503709
2-(4-(2-(1-benzylpiperidin-2-yl)ethoxy)phenyl)-1H-benzo[d]imidazole-5-carboxamide
CID 11532590
2-(4-((1-(4-methoxybenzyl)piperidin-3-yl)methoxy)phenyl)-1H-benzo[d]imidazole-5-carboxamide
CID 11532902
2-(4-(2-(1-(4-methoxybenzyl)piperidin-2-yl)ethoxy)phenyl)-1H-benzo[d]imidazole-5-carboxamide
CID 11576690
2-(4-((1-acetylpiperidin-3-yl)methoxy)phenyl)-1H-benzo[d]imidazole-5-carboxamide
CID 11682614
2-(4-(2-(1-benzoylpiperidin-4-yl)ethoxy)phenyl)-1H-benzo[d]imidazole-5-carboxamide
CID 11691280
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(tetrazolo[1,5-a]quinoxalin-4-yl)amino]benzamide
CID 15989989
N-(1-Phenylethyl)-4-({[1,2,3,4]tetrazolo[1,5-A]quinoxalin-4-YL}amino)benzamide
CID 15990289

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide (CID 15990023) is N-[(2-methoxyphenyl)methyl]-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide is COc1ccccc1CNC(=O)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide?
The InChIKey is YAOMHVGVEBIRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7O2/c1-32-20-9-5-2-6-16(20)14-24-23(31)15-10-12-17(13-11-15)25-21-22-27-28-29-30(22)19-8-4-3-7-18(19)26-21/h2-13H,14H2,1H3,(H,24,31)(H,25,26).
What are the key properties of N-[(2-methoxyphenyl)methyl]-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide?
N-[(2-methoxyphenyl)methyl]-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide has a molecular weight of 425.45 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide is sourced from PubChem (CID 15990023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).