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

C21H22N5O3+ — CID 156590909

IUPACN-(4-methoxyphenyl)-2-(5-oxo-2-propyl-[1,2,4]triazolo[1,5-c]quinazolin-1-ium-6-yl)acetamide
SMILESCCCc1nn2c(=O)n(CC(=O)Nc3ccc(OC)cc3)c3ccccc3c2[nH+]1
InChIInChI=1S/C21H21N5O3/c1-3-6-18-23-20-16-7-4-5-8-17(16)25(21(28)26(20)24-18)13-19(27)22-14-9-11-15(29-2)12-10-14/h4-5,7-12H,3,6,13H2,1-2H3,(H,22,27)/p+1
InChIKeyRWLHOSVBETWQDQ-UHFFFAOYSA-O
MW392.44 g/mol
LogP2.06
Rot. Bonds6

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

N-(4-methoxyphenyl)-2-(5-oxo-2-propyl-[1,2,4]triazolo[1,5-c]quinazolin-1-ium-6-yl)acetamide (PubChem CID 156590909) has the molecular formula C21H22N5O3+ and a molecular weight of 392.44 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-(5-oxo-2-propyl-[1,2,4]triazolo[1,5-c]quinazolin-1-ium-6-yl)acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-(5-oxo-2-propyl-[1,2,4]triazolo[1,5-c]quinazolin-1-ium-6-yl)acetamide
PubChem CID156590909
Molecular FormulaC21H22N5O3+
Molecular Weight392.44 g/mol
Exact Mass392.17
IUPAC NameN-(4-methoxyphenyl)-2-(5-oxo-2-propyl-[1,2,4]triazolo[1,5-c]quinazolin-1-ium-6-yl)acetamide
SMILESCCCc1nn2c(=O)n(CC(=O)Nc3ccc(OC)cc3)c3ccccc3c2[nH+]1
InChIInChI=1S/C21H21N5O3/c1-3-6-18-23-20-16-7-4-5-8-17(16)25(21(28)26(20)24-18)13-19(27)22-14-9-11-15(29-2)12-10-14/h4-5,7-12H,3,6,13H2,1-2H3,(H,22,27)/p+1
InChIKeyRWLHOSVBETWQDQ-UHFFFAOYSA-O
XLogP2.06
TPSA91.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chlorophenyl)-2-(5-oxo-2-propyl-[1,2,4]triazolo[1,5-c]quinazolin-1-ium-6-yl)acetamide
CID 156590813
2-(8,9-dimethoxy-5-oxo-2-propyl-[1,2,4]triazolo[1,5-c]quinazolin-1-ium-6-yl)-N-(4-fluorophenyl)acetamide
CID 156590571
2-[2-(4-methoxyphenyl)-5-oxo-[1,2,4]triazolo[1,5-c]quinazolin-1-ium-6-yl]-N-(3-methylphenyl)acetamide
CID 156592718
N-(4-methoxyphenyl)-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502403
6-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-2-propyl-[1,2,4]triazolo[1,5-c]quinazolin-1-ium-5-one
CID 156590638
2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 22429988
N-(4-methoxyphenyl)-2-(5-oxotriazolo[1,5-a]quinazolin-4-yl)acetamide
CID 126458404
2-[3-(4-chlorophenyl)-2,4-dioxoquinazolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 17027583
2-[3-(2-chlorophenyl)-2,4-dioxoquinazolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 42811337
N-(4-methoxyphenyl)-2-[3-[2-(3-methylphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 15995768
6-[(4-ethenylphenyl)methyl]-2-propyl-[1,2,4]triazolo[1,5-c]quinazolin-1-ium-5-one
CID 156590949
2-[6,7-dimethoxy-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 22423598

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-(5-oxo-2-propyl-[1,2,4]triazolo[1,5-c]quinazolin-1-ium-6-yl)acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-(5-oxo-2-propyl-[1,2,4]triazolo[1,5-c]quinazolin-1-ium-6-yl)acetamide (CID 156590909) is N-(4-methoxyphenyl)-2-(5-oxo-2-propyl-[1,2,4]triazolo[1,5-c]quinazolin-1-ium-6-yl)acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-(5-oxo-2-propyl-[1,2,4]triazolo[1,5-c]quinazolin-1-ium-6-yl)acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-(5-oxo-2-propyl-[1,2,4]triazolo[1,5-c]quinazolin-1-ium-6-yl)acetamide is CCCc1nn2c(=O)n(CC(=O)Nc3ccc(OC)cc3)c3ccccc3c2[nH+]1.
What is the InChIKey of N-(4-methoxyphenyl)-2-(5-oxo-2-propyl-[1,2,4]triazolo[1,5-c]quinazolin-1-ium-6-yl)acetamide?
The InChIKey is RWLHOSVBETWQDQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H21N5O3/c1-3-6-18-23-20-16-7-4-5-8-17(16)25(21(28)26(20)24-18)13-19(27)22-14-9-11-15(29-2)12-10-14/h4-5,7-12H,3,6,13H2,1-2H3,(H,22,27)/p+1.
What are the key properties of N-(4-methoxyphenyl)-2-(5-oxo-2-propyl-[1,2,4]triazolo[1,5-c]quinazolin-1-ium-6-yl)acetamide?
N-(4-methoxyphenyl)-2-(5-oxo-2-propyl-[1,2,4]triazolo[1,5-c]quinazolin-1-ium-6-yl)acetamide has a molecular weight of 392.44 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-(5-oxo-2-propyl-[1,2,4]triazolo[1,5-c]quinazolin-1-ium-6-yl)acetamide is sourced from PubChem (CID 156590909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).