2-[2-(4-methoxyphenyl)-5-oxo-[1,2,4]triazolo[1,5-c]quinazolin-1-ium-6-yl]-N-(3-methylphenyl)acetamide

C25H22N5O3+ — CID 156592718

IUPAC2-[2-(4-methoxyphenyl)-5-oxo-[1,2,4]triazolo[1,5-c]quinazolin-1-ium-6-yl]-N-(3-methylphenyl)acetamide
SMILESCOc1ccc(-c2nn3c(=O)n(CC(=O)Nc4cccc(C)c4)c4ccccc4c3[nH+]2)cc1
InChIInChI=1S/C25H21N5O3/c1-16-6-5-7-18(14-16)26-22(31)15-29-21-9-4-3-8-20(21)24-27-23(28-30(24)25(29)32)17-10-12-19(33-2)13-11-17/h3-14H,15H2,1-2H3,(H,26,31)/p+1
InChIKeyFFDPPUKMDOVZMB-UHFFFAOYSA-O
MW440.48 g/mol
LogP3.09
Rot. Bonds5

About 2-[2-(4-methoxyphenyl)-5-oxo-[1,2,4]triazolo[1,5-c]quinazolin-1-ium-6-yl]-N-(3-methylphenyl)acetamide

2-[2-(4-methoxyphenyl)-5-oxo-[1,2,4]triazolo[1,5-c]quinazolin-1-ium-6-yl]-N-(3-methylphenyl)acetamide (PubChem CID 156592718) has the molecular formula C25H22N5O3+ and a molecular weight of 440.48 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)-5-oxo-[1,2,4]triazolo[1,5-c]quinazolin-1-ium-6-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)-5-oxo-[1,2,4]triazolo[1,5-c]quinazolin-1-ium-6-yl]-N-(3-methylphenyl)acetamide
PubChem CID156592718
Molecular FormulaC25H22N5O3+
Molecular Weight440.48 g/mol
Exact Mass440.17
IUPAC Name2-[2-(4-methoxyphenyl)-5-oxo-[1,2,4]triazolo[1,5-c]quinazolin-1-ium-6-yl]-N-(3-methylphenyl)acetamide
SMILESCOc1ccc(-c2nn3c(=O)n(CC(=O)Nc4cccc(C)c4)c4ccccc4c3[nH+]2)cc1
InChIInChI=1S/C25H21N5O3/c1-16-6-5-7-18(14-16)26-22(31)15-29-21-9-4-3-8-20(21)24-27-23(28-30(24)25(29)32)17-10-12-19(33-2)13-11-17/h3-14H,15H2,1-2H3,(H,26,31)/p+1
InChIKeyFFDPPUKMDOVZMB-UHFFFAOYSA-O
XLogP3.09
TPSA91.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxyphenyl)-2-(5-oxo-2-propyl-[1,2,4]triazolo[1,5-c]quinazolin-1-ium-6-yl)acetamide
CID 156590909
N-(3-chlorophenyl)-2-(5-oxo-2-propyl-[1,2,4]triazolo[1,5-c]quinazolin-1-ium-6-yl)acetamide
CID 156590813
N-(4-methoxyphenyl)-2-[3-[2-(3-methylphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 15995768
N-(4-methoxyphenyl)-2-[2-(3-methylphenyl)benzimidazol-1-yl]acetamide
CID 17032844
N-(3-methoxyphenyl)-2-[2-(4-methylphenyl)benzimidazol-1-yl]acetamide
CID 17033082
2-(2-methoxy-9-oxoacridin-10-yl)-N-(3-methoxyphenyl)acetamide
CID 15992736
N-(4-methoxyphenyl)-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502403
N-(3-methoxyphenyl)-2-[3-(2-methylpropyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 45030708
N-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 17033040
N-(3,4-dimethylphenyl)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 17033048
N,N-diethyl-1-[2-(3-methylanilino)-2-oxoethyl]-2-oxoquinoline-4-carboxamide
CID 17251057
2-[7-(4-methoxyphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-(3-methylphenyl)acetamide
CID 16906134

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)-5-oxo-[1,2,4]triazolo[1,5-c]quinazolin-1-ium-6-yl]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[2-(4-methoxyphenyl)-5-oxo-[1,2,4]triazolo[1,5-c]quinazolin-1-ium-6-yl]-N-(3-methylphenyl)acetamide (CID 156592718) is 2-[2-(4-methoxyphenyl)-5-oxo-[1,2,4]triazolo[1,5-c]quinazolin-1-ium-6-yl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)-5-oxo-[1,2,4]triazolo[1,5-c]quinazolin-1-ium-6-yl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[2-(4-methoxyphenyl)-5-oxo-[1,2,4]triazolo[1,5-c]quinazolin-1-ium-6-yl]-N-(3-methylphenyl)acetamide is COc1ccc(-c2nn3c(=O)n(CC(=O)Nc4cccc(C)c4)c4ccccc4c3[nH+]2)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)-5-oxo-[1,2,4]triazolo[1,5-c]quinazolin-1-ium-6-yl]-N-(3-methylphenyl)acetamide?
The InChIKey is FFDPPUKMDOVZMB-UHFFFAOYSA-O. The full InChI is InChI=1S/C25H21N5O3/c1-16-6-5-7-18(14-16)26-22(31)15-29-21-9-4-3-8-20(21)24-27-23(28-30(24)25(29)32)17-10-12-19(33-2)13-11-17/h3-14H,15H2,1-2H3,(H,26,31)/p+1.
What are the key properties of 2-[2-(4-methoxyphenyl)-5-oxo-[1,2,4]triazolo[1,5-c]quinazolin-1-ium-6-yl]-N-(3-methylphenyl)acetamide?
2-[2-(4-methoxyphenyl)-5-oxo-[1,2,4]triazolo[1,5-c]quinazolin-1-ium-6-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 440.48 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)-5-oxo-[1,2,4]triazolo[1,5-c]quinazolin-1-ium-6-yl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 156592718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).