N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide

C25H23N7O3 — CID 15990037

IUPACN-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide
SMILESCCOc1ccc(CNC(=O)c2cccc(Nc3nc4ccccc4n4nnnc34)c2)cc1OC
InChIInChI=1S/C25H23N7O3/c1-3-35-21-12-11-16(13-22(21)34-2)15-26-25(33)17-7-6-8-18(14-17)27-23-24-29-30-31-32(24)20-10-5-4-9-19(20)28-23/h4-14H,3,15H2,1-2H3,(H,26,33)(H,27,28)
InChIKeyAMMAUIFMJUUKSY-UHFFFAOYSA-N
MW469.51 g/mol
LogP3.75
Rot. Bonds8

About N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide

N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide (PubChem CID 15990037) has the molecular formula C25H23N7O3 and a molecular weight of 469.51 g/mol. Its IUPAC name is N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide.

Molecular Properties

Compound NameN-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide
PubChem CID15990037
Molecular FormulaC25H23N7O3
Molecular Weight469.51 g/mol
Exact Mass469.19
IUPAC NameN-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide
SMILESCCOc1ccc(CNC(=O)c2cccc(Nc3nc4ccccc4n4nnnc34)c2)cc1OC
InChIInChI=1S/C25H23N7O3/c1-3-35-21-12-11-16(13-22(21)34-2)15-26-25(33)17-7-6-8-18(14-17)27-23-24-29-30-31-32(24)20-10-5-4-9-19(20)28-23/h4-14H,3,15H2,1-2H3,(H,26,33)(H,27,28)
InChIKeyAMMAUIFMJUUKSY-UHFFFAOYSA-N
XLogP3.75
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.51
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

2-(4-(piperidin-4-ylmethoxy)phenyl)-1H-benzo[d]imidazole-5-carboxamide
CID 11501187
2-{4-[(1-Benzylpiperidin-4-YL)methoxy]phenyl}-1H-benzimidazole-6-carboxamide
CID 11524997
2-[3-methoxy-4-[(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methoxy]phenyl]-1H-benzimidazole-4-carboxamide
CID 9953922
1-[2-chloro-5-(2-methylpropoxy)phenyl]-4-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
CID 145957188
1-[2-chloro-5-(2-methylpropoxy)phenyl]-4-methyl-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
CID 145958637
3,4-dimethoxy-N-(3-{[1,2,4]triazolo[4,3-b]pyridazin-6-yl}phenyl)benzamide
CID 7217791
N-(1H-benzimidazol-2-ylmethyl)-3,4-dimethoxybenzamide
CID 751094
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 6619702
N-({[5-(1H-benzimidazol-2-yl)-2-methylphenyl]amino}carbonothioyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 1254374
3,4-dimethoxy-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide
CID 1262390
N-[3-(1H-benzimidazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 2880709
2-[4-(3-Diethylcarbamoyl-phenoxy)-phenyl]-1H-benzoimidazole-5-carboxylic acid amide
CID 10274172

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide?
The IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide (CID 15990037) is N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide.
What is the SMILES notation for N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide?
The canonical SMILES for N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide is CCOc1ccc(CNC(=O)c2cccc(Nc3nc4ccccc4n4nnnc34)c2)cc1OC.
What is the InChIKey of N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide?
The InChIKey is AMMAUIFMJUUKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O3/c1-3-35-21-12-11-16(13-22(21)34-2)15-26-25(33)17-7-6-8-18(14-17)27-23-24-29-30-31-32(24)20-10-5-4-9-19(20)28-23/h4-14H,3,15H2,1-2H3,(H,26,33)(H,27,28).
What are the key properties of N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide?
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide has a molecular weight of 469.51 g/mol, XLogP of 3.75, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide is sourced from PubChem (CID 15990037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).