3-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methylamino]-4-methyl-N-phenylbenzamide

C26H24N6O2 — CID 60537304

About 3-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methylamino]-4-methyl-N-phenylbenzamide

3-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methylamino]-4-methyl-N-phenylbenzamide (PubChem CID 60537304) has the molecular formula C26H24N6O2 and a molecular weight of 452.52 g/mol. Its IUPAC name is 3-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methylamino]-4-methyl-N-phenylbenzamide.

Molecular Properties

• Compound Name: 3-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methylamino]-4-methyl-N-phenylbenzamide
• PubChem CID: 60537304
• Molecular Formula: C26H24N6O2
• Molecular Weight: 452.52 g/mol
• Exact Mass: 452.20
• IUPAC Name: 3-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methylamino]-4-methyl-N-phenylbenzamide
• SMILES: CCn1c(=O)c2ccccc2n2c(CNc3cc(C(=O)Nc4ccccc4)ccc3C)nnc12
• InChI: InChI=1S/C26H24N6O2/c1-3-31-25(34)20-11-7-8-12-22(20)32-23(29-30-26(31)32)16-27-21-15-18(14-13-17(21)2)24(33)28-19-9-5-4-6-10-19/h4-15,27H,3,16H2,1-2H3,(H,28,33)
• InChIKey: FVFCBUAYWIGYHS-UHFFFAOYSA-N
• XLogP: 4.24
• TPSA: 93.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.52
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methylamino]-4-methyl-N-phenylbenzamide?

The IUPAC name of 3-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methylamino]-4-methyl-N-phenylbenzamide (CID 60537304) is 3-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methylamino]-4-methyl-N-phenylbenzamide.

What is the SMILES notation for 3-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methylamino]-4-methyl-N-phenylbenzamide?

The canonical SMILES for 3-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methylamino]-4-methyl-N-phenylbenzamide is CCn1c(=O)c2ccccc2n2c(CNc3cc(C(=O)Nc4ccccc4)ccc3C)nnc12.

What is the InChIKey of 3-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methylamino]-4-methyl-N-phenylbenzamide?

The InChIKey is FVFCBUAYWIGYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O2/c1-3-31-25(34)20-11-7-8-12-22(20)32-23(29-30-26(31)32)16-27-21-15-18(14-13-17(21)2)24(33)28-19-9-5-4-6-10-19/h4-15,27H,3,16H2,1-2H3,(H,28,33).

What are the key properties of 3-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methylamino]-4-methyl-N-phenylbenzamide?

3-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methylamino]-4-methyl-N-phenylbenzamide has a molecular weight of 452.52 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methylamino]-4-methyl-N-phenylbenzamide is sourced from PubChem (CID 60537304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).