N-(4-methoxyphenyl)-2-(5-oxotriazolo[1,5-a]quinazolin-4-yl)acetamide

C18H15N5O3 — CID 126458404

IUPACN-(4-methoxyphenyl)-2-(5-oxotriazolo[1,5-a]quinazolin-4-yl)acetamide
SMILESCOc1ccc(NC(=O)Cn2c(=O)c3ccccc3n3nncc23)cc1
InChIInChI=1S/C18H15N5O3/c1-26-13-8-6-12(7-9-13)20-16(24)11-22-17-10-19-21-23(17)15-5-3-2-4-14(15)18(22)25/h2-10H,11H2,1H3,(H,20,24)
InChIKeyWXTSNEATOSNZOV-UHFFFAOYSA-N
MW349.35 g/mol
LogP1.69
Rot. Bonds4

About N-(4-methoxyphenyl)-2-(5-oxotriazolo[1,5-a]quinazolin-4-yl)acetamide

N-(4-methoxyphenyl)-2-(5-oxotriazolo[1,5-a]quinazolin-4-yl)acetamide (PubChem CID 126458404) has the molecular formula C18H15N5O3 and a molecular weight of 349.35 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-(5-oxotriazolo[1,5-a]quinazolin-4-yl)acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-(5-oxotriazolo[1,5-a]quinazolin-4-yl)acetamide
PubChem CID126458404
Molecular FormulaC18H15N5O3
Molecular Weight349.35 g/mol
Exact Mass349.12
IUPAC NameN-(4-methoxyphenyl)-2-(5-oxotriazolo[1,5-a]quinazolin-4-yl)acetamide
SMILESCOc1ccc(NC(=O)Cn2c(=O)c3ccccc3n3nncc23)cc1
InChIInChI=1S/C18H15N5O3/c1-26-13-8-6-12(7-9-13)20-16(24)11-22-17-10-19-21-23(17)15-5-3-2-4-14(15)18(22)25/h2-10H,11H2,1H3,(H,20,24)
InChIKeyWXTSNEATOSNZOV-UHFFFAOYSA-N
XLogP1.69
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-methoxyphenyl)-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502403
N-(4-methoxyphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 113195258
2-[3-(2-chlorophenyl)-2,4-dioxoquinazolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 42811337
2-[3-(4-chlorophenyl)-2,4-dioxoquinazolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 17027583
N-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 17033040
2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 11957189
2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 22429988
N-(4-methoxyphenyl)-2-[3-[2-(3-methylphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 15995768
2-(4-benzyl-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazolin-2-yl)-N-(4-methoxyphenyl)acetamide
CID 50768947
N-(4-bromophenyl)-2-[3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 46278498
2-(3-benzyl-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 20879680
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(4-methoxyphenyl)acetamide
CID 108794896

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-(5-oxotriazolo[1,5-a]quinazolin-4-yl)acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-(5-oxotriazolo[1,5-a]quinazolin-4-yl)acetamide (CID 126458404) is N-(4-methoxyphenyl)-2-(5-oxotriazolo[1,5-a]quinazolin-4-yl)acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-(5-oxotriazolo[1,5-a]quinazolin-4-yl)acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-(5-oxotriazolo[1,5-a]quinazolin-4-yl)acetamide is COc1ccc(NC(=O)Cn2c(=O)c3ccccc3n3nncc23)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-(5-oxotriazolo[1,5-a]quinazolin-4-yl)acetamide?
The InChIKey is WXTSNEATOSNZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O3/c1-26-13-8-6-12(7-9-13)20-16(24)11-22-17-10-19-21-23(17)15-5-3-2-4-14(15)18(22)25/h2-10H,11H2,1H3,(H,20,24).
What are the key properties of N-(4-methoxyphenyl)-2-(5-oxotriazolo[1,5-a]quinazolin-4-yl)acetamide?
N-(4-methoxyphenyl)-2-(5-oxotriazolo[1,5-a]quinazolin-4-yl)acetamide has a molecular weight of 349.35 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-(5-oxotriazolo[1,5-a]quinazolin-4-yl)acetamide is sourced from PubChem (CID 126458404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).