4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4-dioxo-1H-quinazolin-3-yl]-5-chloro-N-methyl-N-propan-2-ylthiophene-2-carboxamide

C24H32ClN3O4SSi — CID 58794253

About 4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4-dioxo-1H-quinazolin-3-yl]-5-chloro-N-methyl-N-propan-2-ylthiophene-2-carboxamide

4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4-dioxo-1H-quinazolin-3-yl]-5-chloro-N-methyl-N-propan-2-ylthiophene-2-carboxamide (PubChem CID 58794253) has the molecular formula C24H32ClN3O4SSi and a molecular weight of 522.14 g/mol. Its IUPAC name is 4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4-dioxo-1H-quinazolin-3-yl]-5-chloro-N-methyl-N-propan-2-ylthiophene-2-carboxamide.

Molecular Properties

• Compound Name: 4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4-dioxo-1H-quinazolin-3-yl]-5-chloro-N-methyl-N-propan-2-ylthiophene-2-carboxamide
• PubChem CID: 58794253
• Molecular Formula: C24H32ClN3O4SSi
• Molecular Weight: 522.14 g/mol
• Exact Mass: 521.16
• IUPAC Name: 4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4-dioxo-1H-quinazolin-3-yl]-5-chloro-N-methyl-N-propan-2-ylthiophene-2-carboxamide
• SMILES: CC(C)N(C)C(=O)c1cc(-n2c(=O)[nH]c3cccc(CO[Si](C)(C)C(C)(C)C)c3c2=O)c(Cl)s1
• InChI: InChI=1S/C24H32ClN3O4SSi/c1-14(2)27(6)21(29)18-12-17(20(25)33-18)28-22(30)19-15(10-9-11-16(19)26-23(28)31)13-32-34(7,8)24(3,4)5/h9-12,14H,13H2,1-8H3,(H,26,31)
• InChIKey: CWYHMJOCMHGPQL-UHFFFAOYSA-N
• XLogP: 5.40
• TPSA: 84.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	522.14
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4-dioxo-1H-quinazolin-3-yl]-5-chloro-N-methyl-N-propan-2-ylthiophene-2-carboxamide?

The IUPAC name of 4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4-dioxo-1H-quinazolin-3-yl]-5-chloro-N-methyl-N-propan-2-ylthiophene-2-carboxamide (CID 58794253) is 4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4-dioxo-1H-quinazolin-3-yl]-5-chloro-N-methyl-N-propan-2-ylthiophene-2-carboxamide.

What is the SMILES notation for 4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4-dioxo-1H-quinazolin-3-yl]-5-chloro-N-methyl-N-propan-2-ylthiophene-2-carboxamide?

The canonical SMILES for 4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4-dioxo-1H-quinazolin-3-yl]-5-chloro-N-methyl-N-propan-2-ylthiophene-2-carboxamide is CC(C)N(C)C(=O)c1cc(-n2c(=O)[nH]c3cccc(CO[Si](C)(C)C(C)(C)C)c3c2=O)c(Cl)s1.

What is the InChIKey of 4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4-dioxo-1H-quinazolin-3-yl]-5-chloro-N-methyl-N-propan-2-ylthiophene-2-carboxamide?

The InChIKey is CWYHMJOCMHGPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32ClN3O4SSi/c1-14(2)27(6)21(29)18-12-17(20(25)33-18)28-22(30)19-15(10-9-11-16(19)26-23(28)31)13-32-34(7,8)24(3,4)5/h9-12,14H,13H2,1-8H3,(H,26,31).

What are the key properties of 4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4-dioxo-1H-quinazolin-3-yl]-5-chloro-N-methyl-N-propan-2-ylthiophene-2-carboxamide?

4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4-dioxo-1H-quinazolin-3-yl]-5-chloro-N-methyl-N-propan-2-ylthiophene-2-carboxamide has a molecular weight of 522.14 g/mol, XLogP of 5.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4-dioxo-1H-quinazolin-3-yl]-5-chloro-N-methyl-N-propan-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 58794253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).