N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-(3-methyl-4-propan-2-ylphenoxy)acetamide

C23H26ClN3O3 — CID 135875146

About N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-(3-methyl-4-propan-2-ylphenoxy)acetamide

N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-(3-methyl-4-propan-2-ylphenoxy)acetamide (PubChem CID 135875146) has the molecular formula C23H26ClN3O3 and a molecular weight of 427.93 g/mol. Its IUPAC name is N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-(3-methyl-4-propan-2-ylphenoxy)acetamide.

Molecular Properties

• Compound Name: N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
• PubChem CID: 135875146
• Molecular Formula: C23H26ClN3O3
• Molecular Weight: 427.93 g/mol
• Exact Mass: 427.17
• IUPAC Name: N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
• SMILES: CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)COc1ccc(C(C)C)c(C)c1
• InChI: InChI=1S/C23H26ClN3O3/c1-5-27(12-21-25-20-11-16(24)6-8-19(20)23(29)26-21)22(28)13-30-17-7-9-18(14(2)3)15(4)10-17/h6-11,14H,5,12-13H2,1-4H3,(H,25,26,29)
• InChIKey: ZHUXWHULGYDMTL-UHFFFAOYSA-N
• XLogP: 4.44
• TPSA: 75.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.93
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-(3-methyl-4-propan-2-ylphenoxy)acetamide?

The IUPAC name of N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-(3-methyl-4-propan-2-ylphenoxy)acetamide (CID 135875146) is N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-(3-methyl-4-propan-2-ylphenoxy)acetamide.

What is the SMILES notation for N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-(3-methyl-4-propan-2-ylphenoxy)acetamide?

The canonical SMILES for N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-(3-methyl-4-propan-2-ylphenoxy)acetamide is CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)COc1ccc(C(C)C)c(C)c1.

What is the InChIKey of N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-(3-methyl-4-propan-2-ylphenoxy)acetamide?

The InChIKey is ZHUXWHULGYDMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O3/c1-5-27(12-21-25-20-11-16(24)6-8-19(20)23(29)26-21)22(28)13-30-17-7-9-18(14(2)3)15(4)10-17/h6-11,14H,5,12-13H2,1-4H3,(H,25,26,29).

What are the key properties of N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-(3-methyl-4-propan-2-ylphenoxy)acetamide?

N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-(3-methyl-4-propan-2-ylphenoxy)acetamide has a molecular weight of 427.93 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-(3-methyl-4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 135875146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).