2-[4-[2,4-dioxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]quinazolin-3-yl]phenyl]-N-(3-methylphenyl)acetamide

C28H28N4O4 — CID 50762715

About 2-[4-[2,4-dioxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]quinazolin-3-yl]phenyl]-N-(3-methylphenyl)acetamide

2-[4-[2,4-dioxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]quinazolin-3-yl]phenyl]-N-(3-methylphenyl)acetamide (PubChem CID 50762715) has the molecular formula C28H28N4O4 and a molecular weight of 484.56 g/mol. Its IUPAC name is 2-[4-[2,4-dioxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]quinazolin-3-yl]phenyl]-N-(3-methylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[4-[2,4-dioxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]quinazolin-3-yl]phenyl]-N-(3-methylphenyl)acetamide
• PubChem CID: 50762715
• Molecular Formula: C28H28N4O4
• Molecular Weight: 484.56 g/mol
• Exact Mass: 484.21
• IUPAC Name: 2-[4-[2,4-dioxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]quinazolin-3-yl]phenyl]-N-(3-methylphenyl)acetamide
• SMILES: Cc1cccc(NC(=O)Cc2ccc(-n3c(=O)c4ccccc4n(CC(=O)NC(C)C)c3=O)cc2)c1
• InChI: InChI=1S/C28H28N4O4/c1-18(2)29-26(34)17-31-24-10-5-4-9-23(24)27(35)32(28(31)36)22-13-11-20(12-14-22)16-25(33)30-21-8-6-7-19(3)15-21/h4-15,18H,16-17H2,1-3H3,(H,29,34)(H,30,33)
• InChIKey: YXKKLYOZPLTNMW-UHFFFAOYSA-N
• XLogP: 3.17
• TPSA: 102.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.56
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2,4-dioxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]quinazolin-3-yl]phenyl]-N-(3-methylphenyl)acetamide?

The IUPAC name of 2-[4-[2,4-dioxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]quinazolin-3-yl]phenyl]-N-(3-methylphenyl)acetamide (CID 50762715) is 2-[4-[2,4-dioxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]quinazolin-3-yl]phenyl]-N-(3-methylphenyl)acetamide.

What is the SMILES notation for 2-[4-[2,4-dioxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]quinazolin-3-yl]phenyl]-N-(3-methylphenyl)acetamide?

The canonical SMILES for 2-[4-[2,4-dioxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]quinazolin-3-yl]phenyl]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)Cc2ccc(-n3c(=O)c4ccccc4n(CC(=O)NC(C)C)c3=O)cc2)c1.

What is the InChIKey of 2-[4-[2,4-dioxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]quinazolin-3-yl]phenyl]-N-(3-methylphenyl)acetamide?

The InChIKey is YXKKLYOZPLTNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O4/c1-18(2)29-26(34)17-31-24-10-5-4-9-23(24)27(35)32(28(31)36)22-13-11-20(12-14-22)16-25(33)30-21-8-6-7-19(3)15-21/h4-15,18H,16-17H2,1-3H3,(H,29,34)(H,30,33).

What are the key properties of 2-[4-[2,4-dioxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]quinazolin-3-yl]phenyl]-N-(3-methylphenyl)acetamide?

2-[4-[2,4-dioxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]quinazolin-3-yl]phenyl]-N-(3-methylphenyl)acetamide has a molecular weight of 484.56 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2,4-dioxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]quinazolin-3-yl]phenyl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 50762715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).