N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C21H21N3O4 — CID 135842965

About N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide

N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 135842965) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
• PubChem CID: 135842965
• Molecular Formula: C21H21N3O4
• Molecular Weight: 379.42 g/mol
• Exact Mass: 379.15
• IUPAC Name: N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
• SMILES: COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C1Cc2ccccc2O1
• InChI: InChI=1S/C21H21N3O4/c1-27-11-10-24(21(26)18-12-14-6-2-5-9-17(14)28-18)13-19-22-16-8-4-3-7-15(16)20(25)23-19/h2-9,18H,10-13H2,1H3,(H,22,23,25)
• InChIKey: ZSMZVPZCNKULKK-UHFFFAOYSA-N
• XLogP: 1.90
• TPSA: 84.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.42
LogP ≤ 5	1.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 135842965) is N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

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

The canonical SMILES for N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide is COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C1Cc2ccccc2O1.

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

The InChIKey is ZSMZVPZCNKULKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-27-11-10-24(21(26)18-12-14-6-2-5-9-17(14)28-18)13-19-22-16-8-4-3-7-15(16)20(25)23-19/h2-9,18H,10-13H2,1H3,(H,22,23,25).

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

N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 135842965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).