2-(4-benzyl-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazolin-2-yl)-N-cyclohexylacetamide

C24H25N5O3 — CID 50768877

IUPAC2-(4-benzyl-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazolin-2-yl)-N-cyclohexylacetamide
SMILESO=C(Cn1nc2n(Cc3ccccc3)c(=O)c3ccccc3n2c1=O)NC1CCCCC1
InChIInChI=1S/C24H25N5O3/c30-21(25-18-11-5-2-6-12-18)16-28-24(32)29-20-14-8-7-13-19(20)22(31)27(23(29)26-28)15-17-9-3-1-4-10-17/h1,3-4,7-10,13-14,18H,2,5-6,11-12,15-16H2,(H,25,30)
InChIKeySICRIRGPSJXHCA-UHFFFAOYSA-N
MW431.50 g/mol
LogP2.31
Rot. Bonds5

About 2-(4-benzyl-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazolin-2-yl)-N-cyclohexylacetamide

2-(4-benzyl-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazolin-2-yl)-N-cyclohexylacetamide (PubChem CID 50768877) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is 2-(4-benzyl-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazolin-2-yl)-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-(4-benzyl-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazolin-2-yl)-N-cyclohexylacetamide
PubChem CID50768877
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC Name2-(4-benzyl-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazolin-2-yl)-N-cyclohexylacetamide
SMILESO=C(Cn1nc2n(Cc3ccccc3)c(=O)c3ccccc3n2c1=O)NC1CCCCC1
InChIInChI=1S/C24H25N5O3/c30-21(25-18-11-5-2-6-12-18)16-28-24(32)29-20-14-8-7-13-19(20)22(31)27(23(29)26-28)15-17-9-3-1-4-10-17/h1,3-4,7-10,13-14,18H,2,5-6,11-12,15-16H2,(H,25,30)
InChIKeySICRIRGPSJXHCA-UHFFFAOYSA-N
XLogP2.31
TPSA90.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(4-benzyl-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazolin-2-yl)-N-cyclohexylacetamide with MolForge

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Related Compounds

N-cyclohexyl-2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]benzimidazol-2-yl)acetamide
CID 46959237
N-cyclopentyl-2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 6502325
2-(4-benzyl-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazolin-2-yl)-N-(4-methoxyphenyl)acetamide
CID 50768947
N-cyclopentyl-3-[2-[(2-methylphenyl)methyl]-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]propanamide
CID 53199900
N-cycloheptyl-3-[4-[(4-fluorophenyl)methyl]-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide
CID 6622915
2-[2-(benzylamino)-2-oxoethyl]-N-cyclohexyl-4-methyl-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
CID 50775462
N-cyclooctyl-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 22110617
N-(4-ethylphenyl)-2-[4-[(4-methylphenyl)methyl]-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazolin-2-yl]acetamide
CID 50769046
2-(3-benzyl-2,4-dioxo-[1]benzothiolo[3,2-d]pyrimidin-1-yl)-N-cyclohexylacetamide
CID 16811790
3-[2-[2-(benzylamino)-2-oxoethyl]-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]-N-propan-2-ylpropanamide
CID 50836940
N-cyclohexyl-2-[3-(2-methylpropyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 45030701
2-[3-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]-N-phenylacetamide
CID 22430011

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzyl-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazolin-2-yl)-N-cyclohexylacetamide?
The IUPAC name of 2-(4-benzyl-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazolin-2-yl)-N-cyclohexylacetamide (CID 50768877) is 2-(4-benzyl-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazolin-2-yl)-N-cyclohexylacetamide.
What is the SMILES notation for 2-(4-benzyl-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazolin-2-yl)-N-cyclohexylacetamide?
The canonical SMILES for 2-(4-benzyl-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazolin-2-yl)-N-cyclohexylacetamide is O=C(Cn1nc2n(Cc3ccccc3)c(=O)c3ccccc3n2c1=O)NC1CCCCC1.
What is the InChIKey of 2-(4-benzyl-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazolin-2-yl)-N-cyclohexylacetamide?
The InChIKey is SICRIRGPSJXHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c30-21(25-18-11-5-2-6-12-18)16-28-24(32)29-20-14-8-7-13-19(20)22(31)27(23(29)26-28)15-17-9-3-1-4-10-17/h1,3-4,7-10,13-14,18H,2,5-6,11-12,15-16H2,(H,25,30).
What are the key properties of 2-(4-benzyl-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazolin-2-yl)-N-cyclohexylacetamide?
2-(4-benzyl-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazolin-2-yl)-N-cyclohexylacetamide has a molecular weight of 431.50 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzyl-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazolin-2-yl)-N-cyclohexylacetamide is sourced from PubChem (CID 50768877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).