2-[4-[7-(2-hydroxyethoxy)-6-methoxyquinazolin-4-yl]oxyphenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide

C23H22N4O5S — CID 11626865

IUPAC2-[4-[7-(2-hydroxyethoxy)-6-methoxyquinazolin-4-yl]oxyphenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCOc1cc2c(Oc3ccc(CC(=O)Nc4ncc(C)s4)cc3)ncnc2cc1OCCO
InChIInChI=1S/C23H22N4O5S/c1-14-12-24-23(33-14)27-21(29)9-15-3-5-16(6-4-15)32-22-17-10-19(30-2)20(31-8-7-28)11-18(17)25-13-26-22/h3-6,10-13,28H,7-9H2,1-2H3,(H,24,27,29)
InChIKeyXGWCAJFZPWOQCQ-UHFFFAOYSA-N
MW466.52 g/mol
LogP3.75
Rot. Bonds9

About 2-[4-[7-(2-hydroxyethoxy)-6-methoxyquinazolin-4-yl]oxyphenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide

2-[4-[7-(2-hydroxyethoxy)-6-methoxyquinazolin-4-yl]oxyphenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 11626865) has the molecular formula C23H22N4O5S and a molecular weight of 466.52 g/mol. Its IUPAC name is 2-[4-[7-(2-hydroxyethoxy)-6-methoxyquinazolin-4-yl]oxyphenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-[7-(2-hydroxyethoxy)-6-methoxyquinazolin-4-yl]oxyphenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID11626865
Molecular FormulaC23H22N4O5S
Molecular Weight466.52 g/mol
Exact Mass466.13
IUPAC Name2-[4-[7-(2-hydroxyethoxy)-6-methoxyquinazolin-4-yl]oxyphenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCOc1cc2c(Oc3ccc(CC(=O)Nc4ncc(C)s4)cc3)ncnc2cc1OCCO
InChIInChI=1S/C23H22N4O5S/c1-14-12-24-23(33-14)27-21(29)9-15-3-5-16(6-4-15)32-22-17-10-19(30-2)20(31-8-7-28)11-18(17)25-13-26-22/h3-6,10-13,28H,7-9H2,1-2H3,(H,24,27,29)
InChIKeyXGWCAJFZPWOQCQ-UHFFFAOYSA-N
XLogP3.75
TPSA115.69 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.52
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[4-[7-(2-hydroxyethoxy)-6-methoxyquinazolin-4-yl]oxyphenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[7-(2-hydroxyethoxy)-6-methoxyquinazolin-4-yl]oxyphenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-[7-(2-hydroxyethoxy)-6-methoxyquinazolin-4-yl]oxyphenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide (CID 11626865) is 2-[4-[7-(2-hydroxyethoxy)-6-methoxyquinazolin-4-yl]oxyphenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-[7-(2-hydroxyethoxy)-6-methoxyquinazolin-4-yl]oxyphenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-[7-(2-hydroxyethoxy)-6-methoxyquinazolin-4-yl]oxyphenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide is COc1cc2c(Oc3ccc(CC(=O)Nc4ncc(C)s4)cc3)ncnc2cc1OCCO.
What is the InChIKey of 2-[4-[7-(2-hydroxyethoxy)-6-methoxyquinazolin-4-yl]oxyphenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is XGWCAJFZPWOQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O5S/c1-14-12-24-23(33-14)27-21(29)9-15-3-5-16(6-4-15)32-22-17-10-19(30-2)20(31-8-7-28)11-18(17)25-13-26-22/h3-6,10-13,28H,7-9H2,1-2H3,(H,24,27,29).
What are the key properties of 2-[4-[7-(2-hydroxyethoxy)-6-methoxyquinazolin-4-yl]oxyphenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
2-[4-[7-(2-hydroxyethoxy)-6-methoxyquinazolin-4-yl]oxyphenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 466.52 g/mol, XLogP of 3.75, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[7-(2-hydroxyethoxy)-6-methoxyquinazolin-4-yl]oxyphenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 11626865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).