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

C20H19N3O3 — CID 135702776

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

(2R)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 135702776) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is (2R)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: (2R)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
• PubChem CID: 135702776
• Molecular Formula: C20H19N3O3
• Molecular Weight: 349.39 g/mol
• Exact Mass: 349.14
• IUPAC Name: (2R)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
• SMILES: CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@H]1Cc2ccccc2O1
• InChI: InChI=1S/C20H19N3O3/c1-2-23(20(25)17-11-13-7-3-6-10-16(13)26-17)12-18-21-15-9-5-4-8-14(15)19(24)22-18/h3-10,17H,2,11-12H2,1H3,(H,21,22,24)/t17-/m1/s1
• InChIKey: KLHUJXKQSCQLQA-QGZVFWFLSA-N
• XLogP: 2.28
• TPSA: 75.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	349.39
LogP ≤ 5	2.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of (2R)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 135702776) is (2R)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

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

The canonical SMILES for (2R)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide is CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@H]1Cc2ccccc2O1.

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

The InChIKey is KLHUJXKQSCQLQA-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-2-23(20(25)17-11-13-7-3-6-10-16(13)26-17)12-18-21-15-9-5-4-8-14(15)19(24)22-18/h3-10,17H,2,11-12H2,1H3,(H,21,22,24)/t17-/m1/s1.

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

(2R)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 135702776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).