2-[4-[1-(2-anilino-2-oxoethyl)-2,4-dioxoquinazolin-3-yl]phenyl]-N-(furan-2-ylmethyl)acetamide

C29H24N4O5 — CID 50762678

About 2-[4-[1-(2-anilino-2-oxoethyl)-2,4-dioxoquinazolin-3-yl]phenyl]-N-(furan-2-ylmethyl)acetamide

2-[4-[1-(2-anilino-2-oxoethyl)-2,4-dioxoquinazolin-3-yl]phenyl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 50762678) has the molecular formula C29H24N4O5 and a molecular weight of 508.53 g/mol. Its IUPAC name is 2-[4-[1-(2-anilino-2-oxoethyl)-2,4-dioxoquinazolin-3-yl]phenyl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

• Compound Name: 2-[4-[1-(2-anilino-2-oxoethyl)-2,4-dioxoquinazolin-3-yl]phenyl]-N-(furan-2-ylmethyl)acetamide
• PubChem CID: 50762678
• Molecular Formula: C29H24N4O5
• Molecular Weight: 508.53 g/mol
• Exact Mass: 508.17
• IUPAC Name: 2-[4-[1-(2-anilino-2-oxoethyl)-2,4-dioxoquinazolin-3-yl]phenyl]-N-(furan-2-ylmethyl)acetamide
• SMILES: O=C(Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3ccccc3)c2=O)cc1)NCc1ccco1
• InChI: InChI=1S/C29H24N4O5/c34-26(30-18-23-9-6-16-38-23)17-20-12-14-22(15-13-20)33-28(36)24-10-4-5-11-25(24)32(29(33)37)19-27(35)31-21-7-2-1-3-8-21/h1-16H,17-19H2,(H,30,34)(H,31,35)
• InChIKey: AWRCSRMJXMLUSJ-UHFFFAOYSA-N
• XLogP: 3.24
• TPSA: 115.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.53
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(2-anilino-2-oxoethyl)-2,4-dioxoquinazolin-3-yl]phenyl]-N-(furan-2-ylmethyl)acetamide?

The IUPAC name of 2-[4-[1-(2-anilino-2-oxoethyl)-2,4-dioxoquinazolin-3-yl]phenyl]-N-(furan-2-ylmethyl)acetamide (CID 50762678) is 2-[4-[1-(2-anilino-2-oxoethyl)-2,4-dioxoquinazolin-3-yl]phenyl]-N-(furan-2-ylmethyl)acetamide.

What is the SMILES notation for 2-[4-[1-(2-anilino-2-oxoethyl)-2,4-dioxoquinazolin-3-yl]phenyl]-N-(furan-2-ylmethyl)acetamide?

The canonical SMILES for 2-[4-[1-(2-anilino-2-oxoethyl)-2,4-dioxoquinazolin-3-yl]phenyl]-N-(furan-2-ylmethyl)acetamide is O=C(Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3ccccc3)c2=O)cc1)NCc1ccco1.

What is the InChIKey of 2-[4-[1-(2-anilino-2-oxoethyl)-2,4-dioxoquinazolin-3-yl]phenyl]-N-(furan-2-ylmethyl)acetamide?

The InChIKey is AWRCSRMJXMLUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N4O5/c34-26(30-18-23-9-6-16-38-23)17-20-12-14-22(15-13-20)33-28(36)24-10-4-5-11-25(24)32(29(33)37)19-27(35)31-21-7-2-1-3-8-21/h1-16H,17-19H2,(H,30,34)(H,31,35).

What are the key properties of 2-[4-[1-(2-anilino-2-oxoethyl)-2,4-dioxoquinazolin-3-yl]phenyl]-N-(furan-2-ylmethyl)acetamide?

2-[4-[1-(2-anilino-2-oxoethyl)-2,4-dioxoquinazolin-3-yl]phenyl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 508.53 g/mol, XLogP of 3.24, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[1-(2-anilino-2-oxoethyl)-2,4-dioxoquinazolin-3-yl]phenyl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 50762678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).