2-[4-[1-[2-(2,5-difluoroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-propylacetamide

C27H24F2N4O4 — CID 50763323

About 2-[4-[1-[2-(2,5-difluoroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-propylacetamide

2-[4-[1-[2-(2,5-difluoroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-propylacetamide (PubChem CID 50763323) has the molecular formula C27H24F2N4O4 and a molecular weight of 506.51 g/mol. Its IUPAC name is 2-[4-[1-[2-(2,5-difluoroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-propylacetamide.

Molecular Properties

• Compound Name: 2-[4-[1-[2-(2,5-difluoroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-propylacetamide
• PubChem CID: 50763323
• Molecular Formula: C27H24F2N4O4
• Molecular Weight: 506.51 g/mol
• Exact Mass: 506.18
• IUPAC Name: 2-[4-[1-[2-(2,5-difluoroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-propylacetamide
• SMILES: CCCNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3cc(F)ccc3F)c2=O)cc1
• InChI: InChI=1S/C27H24F2N4O4/c1-2-13-30-24(34)14-17-7-10-19(11-8-17)33-26(36)20-5-3-4-6-23(20)32(27(33)37)16-25(35)31-22-15-18(28)9-12-21(22)29/h3-12,15H,2,13-14,16H2,1H3,(H,30,34)(H,31,35)
• InChIKey: BQYHGFSQJJVGQD-UHFFFAOYSA-N
• XLogP: 3.14
• TPSA: 102.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.51
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[2-(2,5-difluoroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-propylacetamide?

The IUPAC name of 2-[4-[1-[2-(2,5-difluoroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-propylacetamide (CID 50763323) is 2-[4-[1-[2-(2,5-difluoroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-propylacetamide.

What is the SMILES notation for 2-[4-[1-[2-(2,5-difluoroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-propylacetamide?

The canonical SMILES for 2-[4-[1-[2-(2,5-difluoroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-propylacetamide is CCCNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3cc(F)ccc3F)c2=O)cc1.

What is the InChIKey of 2-[4-[1-[2-(2,5-difluoroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-propylacetamide?

The InChIKey is BQYHGFSQJJVGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F2N4O4/c1-2-13-30-24(34)14-17-7-10-19(11-8-17)33-26(36)20-5-3-4-6-23(20)32(27(33)37)16-25(35)31-22-15-18(28)9-12-21(22)29/h3-12,15H,2,13-14,16H2,1H3,(H,30,34)(H,31,35).

What are the key properties of 2-[4-[1-[2-(2,5-difluoroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-propylacetamide?

2-[4-[1-[2-(2,5-difluoroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-propylacetamide has a molecular weight of 506.51 g/mol, XLogP of 3.14, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[1-[2-(2,5-difluoroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-propylacetamide is sourced from PubChem (CID 50763323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).