5-(4-acetylphenyl)-N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylfuran-2-carboxamide

C26H25N3O6 — CID 135932309

About 5-(4-acetylphenyl)-N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylfuran-2-carboxamide

5-(4-acetylphenyl)-N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylfuran-2-carboxamide (PubChem CID 135932309) has the molecular formula C26H25N3O6 and a molecular weight of 475.50 g/mol. Its IUPAC name is 5-(4-acetylphenyl)-N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylfuran-2-carboxamide.

Molecular Properties

• Compound Name: 5-(4-acetylphenyl)-N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylfuran-2-carboxamide
• PubChem CID: 135932309
• Molecular Formula: C26H25N3O6
• Molecular Weight: 475.50 g/mol
• Exact Mass: 475.17
• IUPAC Name: 5-(4-acetylphenyl)-N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylfuran-2-carboxamide
• SMILES: CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1
• InChI: InChI=1S/C26H25N3O6/c1-5-29(14-24-27-19-13-23(34-4)22(33-3)12-18(19)25(31)28-24)26(32)21-11-10-20(35-21)17-8-6-16(7-9-17)15(2)30/h6-13H,5,14H2,1-4H3,(H,27,28,31)
• InChIKey: WUYOENCIGROQEL-UHFFFAOYSA-N
• XLogP: 4.07
• TPSA: 114.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.50
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetylphenyl)-N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylfuran-2-carboxamide?

The IUPAC name of 5-(4-acetylphenyl)-N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylfuran-2-carboxamide (CID 135932309) is 5-(4-acetylphenyl)-N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylfuran-2-carboxamide.

What is the SMILES notation for 5-(4-acetylphenyl)-N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylfuran-2-carboxamide?

The canonical SMILES for 5-(4-acetylphenyl)-N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylfuran-2-carboxamide is CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1.

What is the InChIKey of 5-(4-acetylphenyl)-N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylfuran-2-carboxamide?

The InChIKey is WUYOENCIGROQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O6/c1-5-29(14-24-27-19-13-23(34-4)22(33-3)12-18(19)25(31)28-24)26(32)21-11-10-20(35-21)17-8-6-16(7-9-17)15(2)30/h6-13H,5,14H2,1-4H3,(H,27,28,31).

What are the key properties of 5-(4-acetylphenyl)-N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylfuran-2-carboxamide?

5-(4-acetylphenyl)-N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylfuran-2-carboxamide has a molecular weight of 475.50 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-acetylphenyl)-N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylfuran-2-carboxamide is sourced from PubChem (CID 135932309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).