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

C26H30N6O4 — CID 30849494

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

4-benzyl-2-[2-(tert-butylamino)-2-oxoethyl]-1,5-dioxo-N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide (PubChem CID 30849494) has the molecular formula C26H30N6O4 and a molecular weight of 490.56 g/mol. Its IUPAC name is 4-benzyl-2-[2-(tert-butylamino)-2-oxoethyl]-1,5-dioxo-N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide.

Molecular Properties

• Compound Name: 4-benzyl-2-[2-(tert-butylamino)-2-oxoethyl]-1,5-dioxo-N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
• PubChem CID: 30849494
• Molecular Formula: C26H30N6O4
• Molecular Weight: 490.56 g/mol
• Exact Mass: 490.23
• IUPAC Name: 4-benzyl-2-[2-(tert-butylamino)-2-oxoethyl]-1,5-dioxo-N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
• SMILES: CC(C)NC(=O)c1ccc2c(=O)n(Cc3ccccc3)c3nn(CC(=O)NC(C)(C)C)c(=O)n3c2c1
• InChI: InChI=1S/C26H30N6O4/c1-16(2)27-22(34)18-11-12-19-20(13-18)32-24(30(23(19)35)14-17-9-7-6-8-10-17)29-31(25(32)36)15-21(33)28-26(3,4)5/h6-13,16H,14-15H2,1-5H3,(H,27,34)(H,28,33)
• InChIKey: FKNQXEMBTCRBOL-UHFFFAOYSA-N
• XLogP: 1.91
• TPSA: 119.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.56
LogP ≤ 5	1.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 4-benzyl-2-[2-(tert-butylamino)-2-oxoethyl]-1,5-dioxo-N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide (CID 30849494) is 4-benzyl-2-[2-(tert-butylamino)-2-oxoethyl]-1,5-dioxo-N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide.

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

The canonical SMILES for 4-benzyl-2-[2-(tert-butylamino)-2-oxoethyl]-1,5-dioxo-N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide is CC(C)NC(=O)c1ccc2c(=O)n(Cc3ccccc3)c3nn(CC(=O)NC(C)(C)C)c(=O)n3c2c1.

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

The InChIKey is FKNQXEMBTCRBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O4/c1-16(2)27-22(34)18-11-12-19-20(13-18)32-24(30(23(19)35)14-17-9-7-6-8-10-17)29-31(25(32)36)15-21(33)28-26(3,4)5/h6-13,16H,14-15H2,1-5H3,(H,27,34)(H,28,33).

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

4-benzyl-2-[2-(tert-butylamino)-2-oxoethyl]-1,5-dioxo-N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide has a molecular weight of 490.56 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-benzyl-2-[2-(tert-butylamino)-2-oxoethyl]-1,5-dioxo-N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide is sourced from PubChem (CID 30849494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).