2-(2,4-dichlorophenyl)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide

C19H17Cl2N3O2 — CID 135820980

About 2-(2,4-dichlorophenyl)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide

2-(2,4-dichlorophenyl)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide (PubChem CID 135820980) has the molecular formula C19H17Cl2N3O2 and a molecular weight of 390.27 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-(2,4-dichlorophenyl)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
• PubChem CID: 135820980
• Molecular Formula: C19H17Cl2N3O2
• Molecular Weight: 390.27 g/mol
• Exact Mass: 389.07
• IUPAC Name: 2-(2,4-dichlorophenyl)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
• SMILES: CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cc1ccc(Cl)cc1Cl
• InChI: InChI=1S/C19H17Cl2N3O2/c1-2-24(18(25)9-12-7-8-13(20)10-15(12)21)11-17-22-16-6-4-3-5-14(16)19(26)23-17/h3-8,10H,2,9,11H2,1H3,(H,22,23,26)
• InChIKey: RLNOUFTWAHABBF-UHFFFAOYSA-N
• XLogP: 3.82
• TPSA: 66.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.27
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?

The IUPAC name of 2-(2,4-dichlorophenyl)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide (CID 135820980) is 2-(2,4-dichlorophenyl)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide.

What is the SMILES notation for 2-(2,4-dichlorophenyl)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?

The canonical SMILES for 2-(2,4-dichlorophenyl)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide is CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cc1ccc(Cl)cc1Cl.

What is the InChIKey of 2-(2,4-dichlorophenyl)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?

The InChIKey is RLNOUFTWAHABBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O2/c1-2-24(18(25)9-12-7-8-13(20)10-15(12)21)11-17-22-16-6-4-3-5-14(16)19(26)23-17/h3-8,10H,2,9,11H2,1H3,(H,22,23,26).

What are the key properties of 2-(2,4-dichlorophenyl)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?

2-(2,4-dichlorophenyl)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide has a molecular weight of 390.27 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-dichlorophenyl)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide is sourced from PubChem (CID 135820980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).