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

C20H19ClN5O2+ — CID 156590813

IUPACN-(3-chlorophenyl)-2-(5-oxo-2-propyl-[1,2,4]triazolo[1,5-c]quinazolin-1-ium-6-yl)acetamide
SMILESCCCc1nn2c(=O)n(CC(=O)Nc3cccc(Cl)c3)c3ccccc3c2[nH+]1
InChIInChI=1S/C20H18ClN5O2/c1-2-6-17-23-19-15-9-3-4-10-16(15)25(20(28)26(19)24-17)12-18(27)22-14-8-5-7-13(21)11-14/h3-5,7-11H,2,6,12H2,1H3,(H,22,27)/p+1
InChIKeyWQQUCNZCYXFOJO-UHFFFAOYSA-O
MW396.86 g/mol
LogP2.71
Rot. Bonds5

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

N-(3-chlorophenyl)-2-(5-oxo-2-propyl-[1,2,4]triazolo[1,5-c]quinazolin-1-ium-6-yl)acetamide (PubChem CID 156590813) has the molecular formula C20H19ClN5O2+ and a molecular weight of 396.86 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(5-oxo-2-propyl-[1,2,4]triazolo[1,5-c]quinazolin-1-ium-6-yl)acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(5-oxo-2-propyl-[1,2,4]triazolo[1,5-c]quinazolin-1-ium-6-yl)acetamide
PubChem CID156590813
Molecular FormulaC20H19ClN5O2+
Molecular Weight396.86 g/mol
Exact Mass396.12
IUPAC NameN-(3-chlorophenyl)-2-(5-oxo-2-propyl-[1,2,4]triazolo[1,5-c]quinazolin-1-ium-6-yl)acetamide
SMILESCCCc1nn2c(=O)n(CC(=O)Nc3cccc(Cl)c3)c3ccccc3c2[nH+]1
InChIInChI=1S/C20H18ClN5O2/c1-2-6-17-23-19-15-9-3-4-10-16(15)25(20(28)26(19)24-17)12-18(27)22-14-8-5-7-13(21)11-14/h3-5,7-11H,2,6,12H2,1H3,(H,22,27)/p+1
InChIKeyWQQUCNZCYXFOJO-UHFFFAOYSA-O
XLogP2.71
TPSA82.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.86
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-(9-oxoacridin-10-yl)acetamide
CID 15991917
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
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-[2-(4-methoxyphenyl)-5-oxo-[1,2,4]triazolo[1,5-c]quinazolin-1-ium-6-yl]-N-(3-methylphenyl)acetamide
CID 156592718
2-(3-chloro-9-oxoacridin-10-yl)-N-(3-chlorophenyl)acetamide
CID 22330394
N-(3-chlorophenyl)-2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 46857114
N-(3-chlorophenyl)-2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]quinazolin-1-yl]acetamide
CID 22430065
N-(3-chlorophenyl)-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide
CID 8721691
2-[4-[1-[2-(3-chloroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide
CID 27422032
6-[(3-chlorophenyl)methyl]-8,9-dimethoxy-2-propyl-[1,2,4]triazolo[1,5-c]quinazolin-1-ium-5-one
CID 156590677
N-(3,5-dichlorophenyl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 26465857

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(5-oxo-2-propyl-[1,2,4]triazolo[1,5-c]quinazolin-1-ium-6-yl)acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-(5-oxo-2-propyl-[1,2,4]triazolo[1,5-c]quinazolin-1-ium-6-yl)acetamide (CID 156590813) is N-(3-chlorophenyl)-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-(3-chlorophenyl)-2-(5-oxo-2-propyl-[1,2,4]triazolo[1,5-c]quinazolin-1-ium-6-yl)acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(5-oxo-2-propyl-[1,2,4]triazolo[1,5-c]quinazolin-1-ium-6-yl)acetamide is CCCc1nn2c(=O)n(CC(=O)Nc3cccc(Cl)c3)c3ccccc3c2[nH+]1.
What is the InChIKey of N-(3-chlorophenyl)-2-(5-oxo-2-propyl-[1,2,4]triazolo[1,5-c]quinazolin-1-ium-6-yl)acetamide?
The InChIKey is WQQUCNZCYXFOJO-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H18ClN5O2/c1-2-6-17-23-19-15-9-3-4-10-16(15)25(20(28)26(19)24-17)12-18(27)22-14-8-5-7-13(21)11-14/h3-5,7-11H,2,6,12H2,1H3,(H,22,27)/p+1.
What are the key properties of N-(3-chlorophenyl)-2-(5-oxo-2-propyl-[1,2,4]triazolo[1,5-c]quinazolin-1-ium-6-yl)acetamide?
N-(3-chlorophenyl)-2-(5-oxo-2-propyl-[1,2,4]triazolo[1,5-c]quinazolin-1-ium-6-yl)acetamide has a molecular weight of 396.86 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(5-oxo-2-propyl-[1,2,4]triazolo[1,5-c]quinazolin-1-ium-6-yl)acetamide is sourced from PubChem (CID 156590813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).