2-[4-[[7-(2-bromoethoxy)-6-methoxyquinazolin-4-yl]amino]pyrazol-1-yl]-N-(2,3-difluorophenyl)acetamide;2-[4-[[7-(2-chloroethoxy)-6-methoxyquinazolin-4-yl]amino]pyrazol-1-yl]-N-(2,3-difluorophenyl)acetamide

C44H38BrClF4N12O6 — CID 87526474

About 2-[4-[[7-(2-bromoethoxy)-6-methoxyquinazolin-4-yl]amino]pyrazol-1-yl]-N-(2,3-difluorophenyl)acetamide;2-[4-[[7-(2-chloroethoxy)-6-methoxyquinazolin-4-yl]amino]pyrazol-1-yl]-N-(2,3-difluorophenyl)acetamide

2-[4-[[7-(2-bromoethoxy)-6-methoxyquinazolin-4-yl]amino]pyrazol-1-yl]-N-(2,3-difluorophenyl)acetamide;2-[4-[[7-(2-chloroethoxy)-6-methoxyquinazolin-4-yl]amino]pyrazol-1-yl]-N-(2,3-difluorophenyl)acetamide (PubChem CID 87526474) has the molecular formula C44H38BrClF4N12O6 and a molecular weight of 1022.21 g/mol. Its IUPAC name is 2-[4-[[7-(2-bromoethoxy)-6-methoxyquinazolin-4-yl]amino]pyrazol-1-yl]-N-(2,3-difluorophenyl)acetamide;2-[4-[[7-(2-chloroethoxy)-6-methoxyquinazolin-4-yl]amino]pyrazol-1-yl]-N-(2,3-difluorophenyl)acetamide.

Molecular Properties

• Compound Name: 2-[4-[[7-(2-bromoethoxy)-6-methoxyquinazolin-4-yl]amino]pyrazol-1-yl]-N-(2,3-difluorophenyl)acetamide;2-[4-[[7-(2-chloroethoxy)-6-methoxyquinazolin-4-yl]amino]pyrazol-1-yl]-N-(2,3-difluorophenyl)acetamide
• PubChem CID: 87526474
• Molecular Formula: C44H38BrClF4N12O6
• Molecular Weight: 1022.21 g/mol
• Exact Mass: 1020.18
• IUPAC Name: 2-[4-[[7-(2-bromoethoxy)-6-methoxyquinazolin-4-yl]amino]pyrazol-1-yl]-N-(2,3-difluorophenyl)acetamide;2-[4-[[7-(2-chloroethoxy)-6-methoxyquinazolin-4-yl]amino]pyrazol-1-yl]-N-(2,3-difluorophenyl)acetamide
• SMILES: COc1cc2c(Nc3cnn(CC(=O)Nc4cccc(F)c4F)c3)ncnc2cc1OCCBr.COc1cc2c(Nc3cnn(CC(=O)Nc4cccc(F)c4F)c3)ncnc2cc1OCCCl
• InChI: InChI=1S/C22H19BrF2N6O3.C22H19ClF2N6O3/c2*1-33-18-7-14-17(8-19(18)34-6-5-23)26-12-27-22(14)29-13-9-28-31(10-13)11-20(32)30-16-4-2-3-15(24)21(16)25/h2*2-4,7-10,12H,5-6,11H2,1H3,(H,30,32)(H,26,27,29)
• InChIKey: NDUFSWRMCHGETG-UHFFFAOYSA-N
• XLogP: 8.38
• TPSA: 206.38 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 18
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1022.21
LogP ≤ 5	8.38
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[7-(2-bromoethoxy)-6-methoxyquinazolin-4-yl]amino]pyrazol-1-yl]-N-(2,3-difluorophenyl)acetamide;2-[4-[[7-(2-chloroethoxy)-6-methoxyquinazolin-4-yl]amino]pyrazol-1-yl]-N-(2,3-difluorophenyl)acetamide?

The IUPAC name of 2-[4-[[7-(2-bromoethoxy)-6-methoxyquinazolin-4-yl]amino]pyrazol-1-yl]-N-(2,3-difluorophenyl)acetamide;2-[4-[[7-(2-chloroethoxy)-6-methoxyquinazolin-4-yl]amino]pyrazol-1-yl]-N-(2,3-difluorophenyl)acetamide (CID 87526474) is 2-[4-[[7-(2-bromoethoxy)-6-methoxyquinazolin-4-yl]amino]pyrazol-1-yl]-N-(2,3-difluorophenyl)acetamide;2-[4-[[7-(2-chloroethoxy)-6-methoxyquinazolin-4-yl]amino]pyrazol-1-yl]-N-(2,3-difluorophenyl)acetamide.

What is the SMILES notation for 2-[4-[[7-(2-bromoethoxy)-6-methoxyquinazolin-4-yl]amino]pyrazol-1-yl]-N-(2,3-difluorophenyl)acetamide;2-[4-[[7-(2-chloroethoxy)-6-methoxyquinazolin-4-yl]amino]pyrazol-1-yl]-N-(2,3-difluorophenyl)acetamide?

The canonical SMILES for 2-[4-[[7-(2-bromoethoxy)-6-methoxyquinazolin-4-yl]amino]pyrazol-1-yl]-N-(2,3-difluorophenyl)acetamide;2-[4-[[7-(2-chloroethoxy)-6-methoxyquinazolin-4-yl]amino]pyrazol-1-yl]-N-(2,3-difluorophenyl)acetamide is COc1cc2c(Nc3cnn(CC(=O)Nc4cccc(F)c4F)c3)ncnc2cc1OCCBr.COc1cc2c(Nc3cnn(CC(=O)Nc4cccc(F)c4F)c3)ncnc2cc1OCCCl.

What is the InChIKey of 2-[4-[[7-(2-bromoethoxy)-6-methoxyquinazolin-4-yl]amino]pyrazol-1-yl]-N-(2,3-difluorophenyl)acetamide;2-[4-[[7-(2-chloroethoxy)-6-methoxyquinazolin-4-yl]amino]pyrazol-1-yl]-N-(2,3-difluorophenyl)acetamide?

The InChIKey is NDUFSWRMCHGETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrF2N6O3.C22H19ClF2N6O3/c2*1-33-18-7-14-17(8-19(18)34-6-5-23)26-12-27-22(14)29-13-9-28-31(10-13)11-20(32)30-16-4-2-3-15(24)21(16)25/h2*2-4,7-10,12H,5-6,11H2,1H3,(H,30,32)(H,26,27,29).

What are the key properties of 2-[4-[[7-(2-bromoethoxy)-6-methoxyquinazolin-4-yl]amino]pyrazol-1-yl]-N-(2,3-difluorophenyl)acetamide;2-[4-[[7-(2-chloroethoxy)-6-methoxyquinazolin-4-yl]amino]pyrazol-1-yl]-N-(2,3-difluorophenyl)acetamide?

2-[4-[[7-(2-bromoethoxy)-6-methoxyquinazolin-4-yl]amino]pyrazol-1-yl]-N-(2,3-difluorophenyl)acetamide;2-[4-[[7-(2-chloroethoxy)-6-methoxyquinazolin-4-yl]amino]pyrazol-1-yl]-N-(2,3-difluorophenyl)acetamide has a molecular weight of 1022.21 g/mol, XLogP of 8.38, 18 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[[7-(2-bromoethoxy)-6-methoxyquinazolin-4-yl]amino]pyrazol-1-yl]-N-(2,3-difluorophenyl)acetamide;2-[4-[[7-(2-chloroethoxy)-6-methoxyquinazolin-4-yl]amino]pyrazol-1-yl]-N-(2,3-difluorophenyl)acetamide is sourced from PubChem (CID 87526474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).