N-[2-(4,8-dimethyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)ethyl]-2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)acetamide

C24H23N5O4 — CID 46953007

About N-[2-(4,8-dimethyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)ethyl]-2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)acetamide

N-[2-(4,8-dimethyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)ethyl]-2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 46953007) has the molecular formula C24H23N5O4 and a molecular weight of 445.48 g/mol. Its IUPAC name is N-[2-(4,8-dimethyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)ethyl]-2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

• Compound Name: N-[2-(4,8-dimethyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)ethyl]-2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)acetamide
• PubChem CID: 46953007
• Molecular Formula: C24H23N5O4
• Molecular Weight: 445.48 g/mol
• Exact Mass: 445.18
• IUPAC Name: N-[2-(4,8-dimethyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)ethyl]-2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)acetamide
• SMILES: Cc1ccc2oc(=O)n(CC(=O)NCCn3nc4c(C)cc5ccc(C)cc5n4c3=O)c2c1
• InChI: InChI=1S/C24H23N5O4/c1-14-4-6-17-12-16(3)22-26-28(23(31)29(22)18(17)10-14)9-8-25-21(30)13-27-19-11-15(2)5-7-20(19)33-24(27)32/h4-7,10-12H,8-9,13H2,1-3H3,(H,25,30)
• InChIKey: SEKKSXBUYIHSRN-UHFFFAOYSA-N
• XLogP: 2.30
• TPSA: 103.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.48
LogP ≤ 5	2.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,8-dimethyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)ethyl]-2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)acetamide?

The IUPAC name of N-[2-(4,8-dimethyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)ethyl]-2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 46953007) is N-[2-(4,8-dimethyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)ethyl]-2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)acetamide.

What is the SMILES notation for N-[2-(4,8-dimethyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)ethyl]-2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)acetamide?

The canonical SMILES for N-[2-(4,8-dimethyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)ethyl]-2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)acetamide is Cc1ccc2oc(=O)n(CC(=O)NCCn3nc4c(C)cc5ccc(C)cc5n4c3=O)c2c1.

What is the InChIKey of N-[2-(4,8-dimethyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)ethyl]-2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)acetamide?

The InChIKey is SEKKSXBUYIHSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O4/c1-14-4-6-17-12-16(3)22-26-28(23(31)29(22)18(17)10-14)9-8-25-21(30)13-27-19-11-15(2)5-7-20(19)33-24(27)32/h4-7,10-12H,8-9,13H2,1-3H3,(H,25,30).

What are the key properties of N-[2-(4,8-dimethyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)ethyl]-2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)acetamide?

N-[2-(4,8-dimethyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)ethyl]-2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 445.48 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4,8-dimethyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)ethyl]-2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 46953007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).