2-[2-[[7-[[1-[2-[butyl(dimethyl)silyl]oxyethyl]piperidin-4-yl]methoxy]-6-methoxyquinazolin-4-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide

C34H45FN6O4SSi — CID 91515428

About 2-[2-[[7-[[1-[2-[butyl(dimethyl)silyl]oxyethyl]piperidin-4-yl]methoxy]-6-methoxyquinazolin-4-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide

2-[2-[[7-[[1-[2-[butyl(dimethyl)silyl]oxyethyl]piperidin-4-yl]methoxy]-6-methoxyquinazolin-4-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide (PubChem CID 91515428) has the molecular formula C34H45FN6O4SSi and a molecular weight of 680.92 g/mol. Its IUPAC name is 2-[2-[[7-[[1-[2-[butyl(dimethyl)silyl]oxyethyl]piperidin-4-yl]methoxy]-6-methoxyquinazolin-4-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide.

Molecular Properties

• Compound Name: 2-[2-[[7-[[1-[2-[butyl(dimethyl)silyl]oxyethyl]piperidin-4-yl]methoxy]-6-methoxyquinazolin-4-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide
• PubChem CID: 91515428
• Molecular Formula: C34H45FN6O4SSi
• Molecular Weight: 680.92 g/mol
• Exact Mass: 680.30
• IUPAC Name: 2-[2-[[7-[[1-[2-[butyl(dimethyl)silyl]oxyethyl]piperidin-4-yl]methoxy]-6-methoxyquinazolin-4-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide
• SMILES: CCCC[Si](C)(C)OCCN1CCC(COc2cc3ncnc(Nc4ncc(CC(=O)Nc5cccc(F)c5)s4)c3cc2OC)CC1
• InChI: InChI=1S/C34H45FN6O4SSi/c1-5-6-16-47(3,4)45-15-14-41-12-10-24(11-13-41)22-44-31-20-29-28(19-30(31)43-2)33(38-23-37-29)40-34-36-21-27(46-34)18-32(42)39-26-9-7-8-25(35)17-26/h7-9,17,19-21,23-24H,5-6,10-16,18,22H2,1-4H3,(H,39,42)(H,36,37,38,40)
• InChIKey: HCZALRGNABYQRE-UHFFFAOYSA-N
• XLogP: 7.27
• TPSA: 110.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 16
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	680.92
LogP ≤ 5	7.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[7-[[1-[2-[butyl(dimethyl)silyl]oxyethyl]piperidin-4-yl]methoxy]-6-methoxyquinazolin-4-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide?

The IUPAC name of 2-[2-[[7-[[1-[2-[butyl(dimethyl)silyl]oxyethyl]piperidin-4-yl]methoxy]-6-methoxyquinazolin-4-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide (CID 91515428) is 2-[2-[[7-[[1-[2-[butyl(dimethyl)silyl]oxyethyl]piperidin-4-yl]methoxy]-6-methoxyquinazolin-4-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide.

What is the SMILES notation for 2-[2-[[7-[[1-[2-[butyl(dimethyl)silyl]oxyethyl]piperidin-4-yl]methoxy]-6-methoxyquinazolin-4-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide?

The canonical SMILES for 2-[2-[[7-[[1-[2-[butyl(dimethyl)silyl]oxyethyl]piperidin-4-yl]methoxy]-6-methoxyquinazolin-4-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide is CCCC[Si](C)(C)OCCN1CCC(COc2cc3ncnc(Nc4ncc(CC(=O)Nc5cccc(F)c5)s4)c3cc2OC)CC1.

What is the InChIKey of 2-[2-[[7-[[1-[2-[butyl(dimethyl)silyl]oxyethyl]piperidin-4-yl]methoxy]-6-methoxyquinazolin-4-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide?

The InChIKey is HCZALRGNABYQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H45FN6O4SSi/c1-5-6-16-47(3,4)45-15-14-41-12-10-24(11-13-41)22-44-31-20-29-28(19-30(31)43-2)33(38-23-37-29)40-34-36-21-27(46-34)18-32(42)39-26-9-7-8-25(35)17-26/h7-9,17,19-21,23-24H,5-6,10-16,18,22H2,1-4H3,(H,39,42)(H,36,37,38,40).

What are the key properties of 2-[2-[[7-[[1-[2-[butyl(dimethyl)silyl]oxyethyl]piperidin-4-yl]methoxy]-6-methoxyquinazolin-4-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide?

2-[2-[[7-[[1-[2-[butyl(dimethyl)silyl]oxyethyl]piperidin-4-yl]methoxy]-6-methoxyquinazolin-4-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide has a molecular weight of 680.92 g/mol, XLogP of 7.27, 16 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[[7-[[1-[2-[butyl(dimethyl)silyl]oxyethyl]piperidin-4-yl]methoxy]-6-methoxyquinazolin-4-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 91515428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).