2-(8,9-dimethoxy-5-oxo-2-propyl-[1,2,4]triazolo[1,5-c]quinazolin-1-ium-6-yl)-N-(4-fluorophenyl)acetamide

C22H23FN5O4+ — CID 156590571

IUPAC2-(8,9-dimethoxy-5-oxo-2-propyl-[1,2,4]triazolo[1,5-c]quinazolin-1-ium-6-yl)-N-(4-fluorophenyl)acetamide
SMILESCCCc1nn2c(=O)n(CC(=O)Nc3ccc(F)cc3)c3cc(OC)c(OC)cc3c2[nH+]1
InChIInChI=1S/C22H22FN5O4/c1-4-5-19-25-21-15-10-17(31-2)18(32-3)11-16(15)27(22(30)28(21)26-19)12-20(29)24-14-8-6-13(23)7-9-14/h6-11H,4-5,12H2,1-3H3,(H,24,29)/p+1
InChIKeyUAUFHUCPGQKTOW-UHFFFAOYSA-O
MW440.46 g/mol
LogP2.21
Rot. Bonds7

About 2-(8,9-dimethoxy-5-oxo-2-propyl-[1,2,4]triazolo[1,5-c]quinazolin-1-ium-6-yl)-N-(4-fluorophenyl)acetamide

2-(8,9-dimethoxy-5-oxo-2-propyl-[1,2,4]triazolo[1,5-c]quinazolin-1-ium-6-yl)-N-(4-fluorophenyl)acetamide (PubChem CID 156590571) has the molecular formula C22H23FN5O4+ and a molecular weight of 440.46 g/mol. Its IUPAC name is 2-(8,9-dimethoxy-5-oxo-2-propyl-[1,2,4]triazolo[1,5-c]quinazolin-1-ium-6-yl)-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(8,9-dimethoxy-5-oxo-2-propyl-[1,2,4]triazolo[1,5-c]quinazolin-1-ium-6-yl)-N-(4-fluorophenyl)acetamide
PubChem CID156590571
Molecular FormulaC22H23FN5O4+
Molecular Weight440.46 g/mol
Exact Mass440.17
IUPAC Name2-(8,9-dimethoxy-5-oxo-2-propyl-[1,2,4]triazolo[1,5-c]quinazolin-1-ium-6-yl)-N-(4-fluorophenyl)acetamide
SMILESCCCc1nn2c(=O)n(CC(=O)Nc3ccc(F)cc3)c3cc(OC)c(OC)cc3c2[nH+]1
InChIInChI=1S/C22H22FN5O4/c1-4-5-19-25-21-15-10-17(31-2)18(32-3)11-16(15)27(22(30)28(21)26-19)12-20(29)24-14-8-6-13(23)7-9-14/h6-11H,4-5,12H2,1-3H3,(H,24,29)/p+1
InChIKeyUAUFHUCPGQKTOW-UHFFFAOYSA-O
XLogP2.21
TPSA101.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.46
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(8,9-dimethoxy-5-oxo-2-propyl-[1,2,4]triazolo[1,5-c]quinazolin-1-ium-6-yl)-N-(4-fluorophenyl)acetamide with MolForge

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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
4-[1-[2-(4-fluoroanilino)-2-oxoethyl]-6,7-dimethoxy-2,4-dioxoquinazolin-3-yl]-N-(2-methoxyethyl)butanamide
CID 15988023
2-[3-(4-ethylbenzoyl)-6,7-dimethoxy-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide
CID 2136553
2-[6,7-dimethoxy-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 22423598
N-(4-ethoxyphenyl)-2-[3-(4-fluorobenzoyl)-6,7-dimethoxy-4-oxoquinolin-1-yl]acetamide
CID 20868855
N-(4-fluorophenyl)-2-(6-methyl-2,4-dioxo-3-propylquinazolin-1-yl)acetamide
CID 71956354
2-[3-(3-chlorophenyl)-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 17197939
2-(2,4-dioxo-3-pentylquinazolin-1-yl)-N-(4-fluorophenyl)acetamide
CID 46860909
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
N-(4-fluorophenyl)-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502404
2-[2-(4-methoxyphenyl)-5-oxo-[1,2,4]triazolo[1,5-c]quinazolin-1-ium-6-yl]-N-(3-methylphenyl)acetamide
CID 156592718

Frequently Asked Questions

What is the IUPAC name of 2-(8,9-dimethoxy-5-oxo-2-propyl-[1,2,4]triazolo[1,5-c]quinazolin-1-ium-6-yl)-N-(4-fluorophenyl)acetamide?
The IUPAC name of 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) is 2-(8,9-dimethoxy-5-oxo-2-propyl-[1,2,4]triazolo[1,5-c]quinazolin-1-ium-6-yl)-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(8,9-dimethoxy-5-oxo-2-propyl-[1,2,4]triazolo[1,5-c]quinazolin-1-ium-6-yl)-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(8,9-dimethoxy-5-oxo-2-propyl-[1,2,4]triazolo[1,5-c]quinazolin-1-ium-6-yl)-N-(4-fluorophenyl)acetamide is CCCc1nn2c(=O)n(CC(=O)Nc3ccc(F)cc3)c3cc(OC)c(OC)cc3c2[nH+]1.
What is the InChIKey of 2-(8,9-dimethoxy-5-oxo-2-propyl-[1,2,4]triazolo[1,5-c]quinazolin-1-ium-6-yl)-N-(4-fluorophenyl)acetamide?
The InChIKey is UAUFHUCPGQKTOW-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H22FN5O4/c1-4-5-19-25-21-15-10-17(31-2)18(32-3)11-16(15)27(22(30)28(21)26-19)12-20(29)24-14-8-6-13(23)7-9-14/h6-11H,4-5,12H2,1-3H3,(H,24,29)/p+1.
What are the key properties of 2-(8,9-dimethoxy-5-oxo-2-propyl-[1,2,4]triazolo[1,5-c]quinazolin-1-ium-6-yl)-N-(4-fluorophenyl)acetamide?
2-(8,9-dimethoxy-5-oxo-2-propyl-[1,2,4]triazolo[1,5-c]quinazolin-1-ium-6-yl)-N-(4-fluorophenyl)acetamide has a molecular weight of 440.46 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8,9-dimethoxy-5-oxo-2-propyl-[1,2,4]triazolo[1,5-c]quinazolin-1-ium-6-yl)-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 156590571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).