2-[2-(tert-butylamino)-2-oxoethyl]-N-cyclopentyl-1,5-dioxo-4-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

C24H32N6O4 — CID 50774852

About 2-[2-(tert-butylamino)-2-oxoethyl]-N-cyclopentyl-1,5-dioxo-4-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

2-[2-(tert-butylamino)-2-oxoethyl]-N-cyclopentyl-1,5-dioxo-4-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide (PubChem CID 50774852) has the molecular formula C24H32N6O4 and a molecular weight of 468.56 g/mol. Its IUPAC name is 2-[2-(tert-butylamino)-2-oxoethyl]-N-cyclopentyl-1,5-dioxo-4-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide.

Molecular Properties

• Compound Name: 2-[2-(tert-butylamino)-2-oxoethyl]-N-cyclopentyl-1,5-dioxo-4-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
• PubChem CID: 50774852
• Molecular Formula: C24H32N6O4
• Molecular Weight: 468.56 g/mol
• Exact Mass: 468.25
• IUPAC Name: 2-[2-(tert-butylamino)-2-oxoethyl]-N-cyclopentyl-1,5-dioxo-4-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
• SMILES: CC(C)n1c(=O)c2ccc(C(=O)NC3CCCC3)cc2n2c(=O)n(CC(=O)NC(C)(C)C)nc12
• InChI: InChI=1S/C24H32N6O4/c1-14(2)29-21(33)17-11-10-15(20(32)25-16-8-6-7-9-16)12-18(17)30-22(29)27-28(23(30)34)13-19(31)26-24(3,4)5/h10-12,14,16H,6-9,13H2,1-5H3,(H,25,32)(H,26,31)
• InChIKey: AWNZETKLVNWWHL-UHFFFAOYSA-N
• XLogP: 1.98
• TPSA: 119.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.56
LogP ≤ 5	1.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[2-(tert-butylamino)-2-oxoethyl]-N-cyclopentyl-1,5-dioxo-4-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide?

The IUPAC name of 2-[2-(tert-butylamino)-2-oxoethyl]-N-cyclopentyl-1,5-dioxo-4-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide (CID 50774852) is 2-[2-(tert-butylamino)-2-oxoethyl]-N-cyclopentyl-1,5-dioxo-4-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide.

What is the SMILES notation for 2-[2-(tert-butylamino)-2-oxoethyl]-N-cyclopentyl-1,5-dioxo-4-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide?

The canonical SMILES for 2-[2-(tert-butylamino)-2-oxoethyl]-N-cyclopentyl-1,5-dioxo-4-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide is CC(C)n1c(=O)c2ccc(C(=O)NC3CCCC3)cc2n2c(=O)n(CC(=O)NC(C)(C)C)nc12.

What is the InChIKey of 2-[2-(tert-butylamino)-2-oxoethyl]-N-cyclopentyl-1,5-dioxo-4-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide?

The InChIKey is AWNZETKLVNWWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O4/c1-14(2)29-21(33)17-11-10-15(20(32)25-16-8-6-7-9-16)12-18(17)30-22(29)27-28(23(30)34)13-19(31)26-24(3,4)5/h10-12,14,16H,6-9,13H2,1-5H3,(H,25,32)(H,26,31).

What are the key properties of 2-[2-(tert-butylamino)-2-oxoethyl]-N-cyclopentyl-1,5-dioxo-4-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide?

2-[2-(tert-butylamino)-2-oxoethyl]-N-cyclopentyl-1,5-dioxo-4-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide has a molecular weight of 468.56 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(tert-butylamino)-2-oxoethyl]-N-cyclopentyl-1,5-dioxo-4-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide is sourced from PubChem (CID 50774852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).