N-(3-chloro-4-methylphenyl)-2-[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide

C21H23ClN4O3 — CID 135809360

About N-(3-chloro-4-methylphenyl)-2-[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide

N-(3-chloro-4-methylphenyl)-2-[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide (PubChem CID 135809360) has the molecular formula C21H23ClN4O3 and a molecular weight of 414.89 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide.

Molecular Properties

• Compound Name: N-(3-chloro-4-methylphenyl)-2-[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
• PubChem CID: 135809360
• Molecular Formula: C21H23ClN4O3
• Molecular Weight: 414.89 g/mol
• Exact Mass: 414.15
• IUPAC Name: N-(3-chloro-4-methylphenyl)-2-[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
• SMILES: COCCN(CC(=O)Nc1ccc(C)c(Cl)c1)Cc1nc2ccccc2c(=O)[nH]1
• InChI: InChI=1S/C21H23ClN4O3/c1-14-7-8-15(11-17(14)22)23-20(27)13-26(9-10-29-2)12-19-24-18-6-4-3-5-16(18)21(28)25-19/h3-8,11H,9-10,12-13H2,1-2H3,(H,23,27)(H,24,25,28)
• InChIKey: YNVQGVYHSJDBGP-UHFFFAOYSA-N
• XLogP: 2.97
• TPSA: 87.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.89
LogP ≤ 5	2.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide?

The IUPAC name of N-(3-chloro-4-methylphenyl)-2-[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide (CID 135809360) is N-(3-chloro-4-methylphenyl)-2-[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide.

What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide?

The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide is COCCN(CC(=O)Nc1ccc(C)c(Cl)c1)Cc1nc2ccccc2c(=O)[nH]1.

What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide?

The InChIKey is YNVQGVYHSJDBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O3/c1-14-7-8-15(11-17(14)22)23-20(27)13-26(9-10-29-2)12-19-24-18-6-4-3-5-16(18)21(28)25-19/h3-8,11H,9-10,12-13H2,1-2H3,(H,23,27)(H,24,25,28).

What are the key properties of N-(3-chloro-4-methylphenyl)-2-[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide?

N-(3-chloro-4-methylphenyl)-2-[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide has a molecular weight of 414.89 g/mol, XLogP of 2.97, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chloro-4-methylphenyl)-2-[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide is sourced from PubChem (CID 135809360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).