3-methyl-N-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-benzofuran-2-carboxamide

C24H23N3O4 — CID 135715107

About 3-methyl-N-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-benzofuran-2-carboxamide

3-methyl-N-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-benzofuran-2-carboxamide (PubChem CID 135715107) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is 3-methyl-N-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: 3-methyl-N-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-benzofuran-2-carboxamide
• PubChem CID: 135715107
• Molecular Formula: C24H23N3O4
• Molecular Weight: 417.47 g/mol
• Exact Mass: 417.17
• IUPAC Name: 3-methyl-N-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-benzofuran-2-carboxamide
• SMILES: Cc1c(C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)CC2CCCO2)oc2ccccc12
• InChI: InChI=1S/C24H23N3O4/c1-15-17-8-3-5-11-20(17)31-22(15)24(29)27(13-16-7-6-12-30-16)14-21-25-19-10-4-2-9-18(19)23(28)26-21/h2-5,8-11,16H,6-7,12-14H2,1H3,(H,25,26,28)
• InChIKey: CKEDWRDCAITYPB-UHFFFAOYSA-N
• XLogP: 3.80
• TPSA: 88.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.47
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-benzofuran-2-carboxamide?

The IUPAC name of 3-methyl-N-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-benzofuran-2-carboxamide (CID 135715107) is 3-methyl-N-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-benzofuran-2-carboxamide.

What is the SMILES notation for 3-methyl-N-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-benzofuran-2-carboxamide?

The canonical SMILES for 3-methyl-N-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-benzofuran-2-carboxamide is Cc1c(C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)CC2CCCO2)oc2ccccc12.

What is the InChIKey of 3-methyl-N-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-benzofuran-2-carboxamide?

The InChIKey is CKEDWRDCAITYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4/c1-15-17-8-3-5-11-20(17)31-22(15)24(29)27(13-16-7-6-12-30-16)14-21-25-19-10-4-2-9-18(19)23(28)26-21/h2-5,8-11,16H,6-7,12-14H2,1H3,(H,25,26,28).

What are the key properties of 3-methyl-N-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-benzofuran-2-carboxamide?

3-methyl-N-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-benzofuran-2-carboxamide has a molecular weight of 417.47 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 135715107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).