2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide

C25H25N3O4 — CID 135932273

About 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide

2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide (PubChem CID 135932273) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
• PubChem CID: 135932273
• Molecular Formula: C25H25N3O4
• Molecular Weight: 431.49 g/mol
• Exact Mass: 431.18
• IUPAC Name: 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
• SMILES: COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cc1coc2cc3c(cc12)CCC3
• InChI: InChI=1S/C25H25N3O4/c1-31-10-9-28(14-23-26-21-8-3-2-7-19(21)25(30)27-23)24(29)13-18-15-32-22-12-17-6-4-5-16(17)11-20(18)22/h2-3,7-8,11-12,15H,4-6,9-10,13-14H2,1H3,(H,26,27,30)
• InChIKey: WGIIRLNTPFLBTO-UHFFFAOYSA-N
• XLogP: 3.38
• TPSA: 88.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.49
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?

The IUPAC name of 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide (CID 135932273) is 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide.

What is the SMILES notation for 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?

The canonical SMILES for 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide is COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cc1coc2cc3c(cc12)CCC3.

What is the InChIKey of 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?

The InChIKey is WGIIRLNTPFLBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4/c1-31-10-9-28(14-23-26-21-8-3-2-7-19(21)25(30)27-23)24(29)13-18-15-32-22-12-17-6-4-5-16(17)11-20(18)22/h2-3,7-8,11-12,15H,4-6,9-10,13-14H2,1H3,(H,26,27,30).

What are the key properties of 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?

2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide has a molecular weight of 431.49 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide is sourced from PubChem (CID 135932273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).