2-(3-ethyl-5-oxo-[1,2,4]triazolo[4,3-c]quinazolin-6-yl)-N-(4-methylphenyl)acetamide

C20H19N5O2 — CID 164621250

IUPAC2-(3-ethyl-5-oxo-[1,2,4]triazolo[4,3-c]quinazolin-6-yl)-N-(4-methylphenyl)acetamide
SMILESCCc1nnc2c3ccccc3n(CC(=O)Nc3ccc(C)cc3)c(=O)n12
InChIInChI=1S/C20H19N5O2/c1-3-17-22-23-19-15-6-4-5-7-16(15)24(20(27)25(17)19)12-18(26)21-14-10-8-13(2)9-11-14/h4-11H,3,12H2,1-2H3,(H,21,26)
InChIKeyKGLACDNAMIWJHM-UHFFFAOYSA-N
MW361.41 g/mol
LogP2.55
Rot. Bonds4

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

2-(3-ethyl-5-oxo-[1,2,4]triazolo[4,3-c]quinazolin-6-yl)-N-(4-methylphenyl)acetamide (PubChem CID 164621250) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 2-(3-ethyl-5-oxo-[1,2,4]triazolo[4,3-c]quinazolin-6-yl)-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-ethyl-5-oxo-[1,2,4]triazolo[4,3-c]quinazolin-6-yl)-N-(4-methylphenyl)acetamide
PubChem CID164621250
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name2-(3-ethyl-5-oxo-[1,2,4]triazolo[4,3-c]quinazolin-6-yl)-N-(4-methylphenyl)acetamide
SMILESCCc1nnc2c3ccccc3n(CC(=O)Nc3ccc(C)cc3)c(=O)n12
InChIInChI=1S/C20H19N5O2/c1-3-17-22-23-19-15-6-4-5-7-16(15)24(20(27)25(17)19)12-18(26)21-14-10-8-13(2)9-11-14/h4-11H,3,12H2,1-2H3,(H,21,26)
InChIKeyKGLACDNAMIWJHM-UHFFFAOYSA-N
XLogP2.55
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-ethyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)-N-(4-methylphenyl)acetamide
CID 53061542
N-(4-acetamidophenyl)-2-(1-ethyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide
CID 53061599
N-(4-methylphenyl)-2-[3-(4-methylphenyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 22429419
2-(1-methyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)-N-(4-methylphenyl)acetamide
CID 53061500
N-(3,4-dimethylphenyl)-2-(1-ethyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide
CID 53061560
N-(4-chlorophenyl)-2-[3-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 45030617
N-(4-methylphenyl)-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide
CID 8721687
2-[3-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 45030594
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-(1-ethyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)-N-(2-ethylphenyl)acetamide
CID 53061554
3-[1-[2-(4-methylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(2-phenylethyl)propanamide
CID 15989633
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[4-(1-phenylethylamino)phenyl]acetamide
CID 55987560

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-5-oxo-[1,2,4]triazolo[4,3-c]quinazolin-6-yl)-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-(3-ethyl-5-oxo-[1,2,4]triazolo[4,3-c]quinazolin-6-yl)-N-(4-methylphenyl)acetamide (CID 164621250) is 2-(3-ethyl-5-oxo-[1,2,4]triazolo[4,3-c]quinazolin-6-yl)-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(3-ethyl-5-oxo-[1,2,4]triazolo[4,3-c]quinazolin-6-yl)-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(3-ethyl-5-oxo-[1,2,4]triazolo[4,3-c]quinazolin-6-yl)-N-(4-methylphenyl)acetamide is CCc1nnc2c3ccccc3n(CC(=O)Nc3ccc(C)cc3)c(=O)n12.
What is the InChIKey of 2-(3-ethyl-5-oxo-[1,2,4]triazolo[4,3-c]quinazolin-6-yl)-N-(4-methylphenyl)acetamide?
The InChIKey is KGLACDNAMIWJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-3-17-22-23-19-15-6-4-5-7-16(15)24(20(27)25(17)19)12-18(26)21-14-10-8-13(2)9-11-14/h4-11H,3,12H2,1-2H3,(H,21,26).
What are the key properties of 2-(3-ethyl-5-oxo-[1,2,4]triazolo[4,3-c]quinazolin-6-yl)-N-(4-methylphenyl)acetamide?
2-(3-ethyl-5-oxo-[1,2,4]triazolo[4,3-c]quinazolin-6-yl)-N-(4-methylphenyl)acetamide has a molecular weight of 361.41 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-5-oxo-[1,2,4]triazolo[4,3-c]quinazolin-6-yl)-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 164621250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).