2-[6-(4-methoxyphenyl)-3,5-dioxo-7H-imidazo[5,1-c][1,2,4]triazol-2-yl]-N-(quinolin-2-ylmethyl)acetamide

C23H20N6O4 — CID 91973098

IUPAC2-[6-(4-methoxyphenyl)-3,5-dioxo-7H-imidazo[5,1-c][1,2,4]triazol-2-yl]-N-(quinolin-2-ylmethyl)acetamide
SMILESCOc1ccc(N2Cc3nn(CC(=O)NCc4ccc5ccccc5n4)c(=O)n3C2=O)cc1
InChIInChI=1S/C23H20N6O4/c1-33-18-10-8-17(9-11-18)27-13-20-26-28(23(32)29(20)22(27)31)14-21(30)24-12-16-7-6-15-4-2-3-5-19(15)25-16/h2-11H,12-14H2,1H3,(H,24,30)
InChIKeyDIZGBHBLMBJXAK-UHFFFAOYSA-N
MW444.45 g/mol
LogP1.91
Rot. Bonds6

About 2-[6-(4-methoxyphenyl)-3,5-dioxo-7H-imidazo[5,1-c][1,2,4]triazol-2-yl]-N-(quinolin-2-ylmethyl)acetamide

2-[6-(4-methoxyphenyl)-3,5-dioxo-7H-imidazo[5,1-c][1,2,4]triazol-2-yl]-N-(quinolin-2-ylmethyl)acetamide (PubChem CID 91973098) has the molecular formula C23H20N6O4 and a molecular weight of 444.45 g/mol. Its IUPAC name is 2-[6-(4-methoxyphenyl)-3,5-dioxo-7H-imidazo[5,1-c][1,2,4]triazol-2-yl]-N-(quinolin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[6-(4-methoxyphenyl)-3,5-dioxo-7H-imidazo[5,1-c][1,2,4]triazol-2-yl]-N-(quinolin-2-ylmethyl)acetamide
PubChem CID91973098
Molecular FormulaC23H20N6O4
Molecular Weight444.45 g/mol
Exact Mass444.15
IUPAC Name2-[6-(4-methoxyphenyl)-3,5-dioxo-7H-imidazo[5,1-c][1,2,4]triazol-2-yl]-N-(quinolin-2-ylmethyl)acetamide
SMILESCOc1ccc(N2Cc3nn(CC(=O)NCc4ccc5ccccc5n4)c(=O)n3C2=O)cc1
InChIInChI=1S/C23H20N6O4/c1-33-18-10-8-17(9-11-18)27-13-20-26-28(23(32)29(20)22(27)31)14-21(30)24-12-16-7-6-15-4-2-3-5-19(15)25-16/h2-11H,12-14H2,1H3,(H,24,30)
InChIKeyDIZGBHBLMBJXAK-UHFFFAOYSA-N
XLogP1.91
TPSA111.35 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.45
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[6-(4-methoxyphenyl)-3,5-dioxo-7H-imidazo[5,1-c][1,2,4]triazol-2-yl]-N-(quinolin-2-ylmethyl)acetamide with MolForge

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-[6-(4-methoxyphenyl)-3,5-dioxo-7H-imidazo[5,1-c][1,2,4]triazol-2-yl]acetamide
CID 46948861
2-[6-(4-methoxyphenyl)-3,5-dioxo-7H-imidazo[5,1-c][1,2,4]triazol-2-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 51138342
2-[6-(4-methoxyphenyl)-3,5-dioxo-7H-imidazo[5,1-c][1,2,4]triazol-2-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 51138501
N-[(4-chlorophenyl)methyl]-2-[6-(4-methoxyphenyl)-3,5-dioxo-7H-imidazo[5,1-c][1,2,4]triazol-2-yl]acetamide
CID 46948860
2-[6-(4-methoxyphenyl)-3,5-dioxo-7H-imidazo[5,1-c][1,2,4]triazol-2-yl]-N-[(4-morpholin-4-ylphenyl)methyl]acetamide
CID 91972605
3-methylsulfanyl-N-(quinolin-2-ylmethyl)propanamide
CID 77090150
3-methoxy-N-(quinolin-2-ylmethyl)benzamide
CID 110734068
3,3-dimethyl-N-(quinolin-2-ylmethyl)butanamide
CID 110734097
2-(cyclopropylmethylsulfanyl)-N-(quinolin-2-ylmethyl)acetamide
CID 90649184
1,4-bis(4-methoxyphenyl)piperazine-2,5-dione
CID 585094
N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide
CID 121052137
N-(quinolin-2-ylmethyl)-3-thiophen-2-ylpropanamide
CID 110734093

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-methoxyphenyl)-3,5-dioxo-7H-imidazo[5,1-c][1,2,4]triazol-2-yl]-N-(quinolin-2-ylmethyl)acetamide?
The IUPAC name of 2-[6-(4-methoxyphenyl)-3,5-dioxo-7H-imidazo[5,1-c][1,2,4]triazol-2-yl]-N-(quinolin-2-ylmethyl)acetamide (CID 91973098) is 2-[6-(4-methoxyphenyl)-3,5-dioxo-7H-imidazo[5,1-c][1,2,4]triazol-2-yl]-N-(quinolin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[6-(4-methoxyphenyl)-3,5-dioxo-7H-imidazo[5,1-c][1,2,4]triazol-2-yl]-N-(quinolin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[6-(4-methoxyphenyl)-3,5-dioxo-7H-imidazo[5,1-c][1,2,4]triazol-2-yl]-N-(quinolin-2-ylmethyl)acetamide is COc1ccc(N2Cc3nn(CC(=O)NCc4ccc5ccccc5n4)c(=O)n3C2=O)cc1.
What is the InChIKey of 2-[6-(4-methoxyphenyl)-3,5-dioxo-7H-imidazo[5,1-c][1,2,4]triazol-2-yl]-N-(quinolin-2-ylmethyl)acetamide?
The InChIKey is DIZGBHBLMBJXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O4/c1-33-18-10-8-17(9-11-18)27-13-20-26-28(23(32)29(20)22(27)31)14-21(30)24-12-16-7-6-15-4-2-3-5-19(15)25-16/h2-11H,12-14H2,1H3,(H,24,30).
What are the key properties of 2-[6-(4-methoxyphenyl)-3,5-dioxo-7H-imidazo[5,1-c][1,2,4]triazol-2-yl]-N-(quinolin-2-ylmethyl)acetamide?
2-[6-(4-methoxyphenyl)-3,5-dioxo-7H-imidazo[5,1-c][1,2,4]triazol-2-yl]-N-(quinolin-2-ylmethyl)acetamide has a molecular weight of 444.45 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-methoxyphenyl)-3,5-dioxo-7H-imidazo[5,1-c][1,2,4]triazol-2-yl]-N-(quinolin-2-ylmethyl)acetamide is sourced from PubChem (CID 91973098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).