2-hydroxy-N-[2-[4-[3-methyl-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-5-yl]oxyethyl]propanamide

C24H25N5O4S — CID 90865607

About 2-hydroxy-N-[2-[4-[3-methyl-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-5-yl]oxyethyl]propanamide

2-hydroxy-N-[2-[4-[3-methyl-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-5-yl]oxyethyl]propanamide (PubChem CID 90865607) has the molecular formula C24H25N5O4S and a molecular weight of 479.56 g/mol. Its IUPAC name is 2-hydroxy-N-[2-[4-[3-methyl-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-5-yl]oxyethyl]propanamide.

Molecular Properties

• Compound Name: 2-hydroxy-N-[2-[4-[3-methyl-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-5-yl]oxyethyl]propanamide
• PubChem CID: 90865607
• Molecular Formula: C24H25N5O4S
• Molecular Weight: 479.56 g/mol
• Exact Mass: 479.16
• IUPAC Name: 2-hydroxy-N-[2-[4-[3-methyl-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-5-yl]oxyethyl]propanamide
• SMILES: Cc1cc(Nc2ncnc3cccc(OCCNC(=O)C(C)O)c23)ccc1OCc1nccs1
• InChI: InChI=1S/C24H25N5O4S/c1-15-12-17(6-7-19(15)33-13-21-25-9-11-34-21)29-23-22-18(27-14-28-23)4-3-5-20(22)32-10-8-26-24(31)16(2)30/h3-7,9,11-12,14,16,30H,8,10,13H2,1-2H3,(H,26,31)(H,27,28,29)
• InChIKey: KOZRFJKJORYOHD-UHFFFAOYSA-N
• XLogP: 3.59
• TPSA: 118.49 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.56
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[2-[4-[3-methyl-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-5-yl]oxyethyl]propanamide?

The IUPAC name of 2-hydroxy-N-[2-[4-[3-methyl-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-5-yl]oxyethyl]propanamide (CID 90865607) is 2-hydroxy-N-[2-[4-[3-methyl-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-5-yl]oxyethyl]propanamide.

What is the SMILES notation for 2-hydroxy-N-[2-[4-[3-methyl-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-5-yl]oxyethyl]propanamide?

The canonical SMILES for 2-hydroxy-N-[2-[4-[3-methyl-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-5-yl]oxyethyl]propanamide is Cc1cc(Nc2ncnc3cccc(OCCNC(=O)C(C)O)c23)ccc1OCc1nccs1.

What is the InChIKey of 2-hydroxy-N-[2-[4-[3-methyl-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-5-yl]oxyethyl]propanamide?

The InChIKey is KOZRFJKJORYOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O4S/c1-15-12-17(6-7-19(15)33-13-21-25-9-11-34-21)29-23-22-18(27-14-28-23)4-3-5-20(22)32-10-8-26-24(31)16(2)30/h3-7,9,11-12,14,16,30H,8,10,13H2,1-2H3,(H,26,31)(H,27,28,29).

What are the key properties of 2-hydroxy-N-[2-[4-[3-methyl-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-5-yl]oxyethyl]propanamide?

2-hydroxy-N-[2-[4-[3-methyl-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-5-yl]oxyethyl]propanamide has a molecular weight of 479.56 g/mol, XLogP of 3.59, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-hydroxy-N-[2-[4-[3-methyl-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-5-yl]oxyethyl]propanamide is sourced from PubChem (CID 90865607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).