2-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-N-phenyl-1,3-thiazole-4-carboxamide

C26H28N6O4S — CID 44591670

About 2-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-N-phenyl-1,3-thiazole-4-carboxamide

2-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-N-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 44591670) has the molecular formula C26H28N6O4S and a molecular weight of 520.62 g/mol. Its IUPAC name is 2-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-N-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-N-phenyl-1,3-thiazole-4-carboxamide
• PubChem CID: 44591670
• Molecular Formula: C26H28N6O4S
• Molecular Weight: 520.62 g/mol
• Exact Mass: 520.19
• IUPAC Name: 2-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-N-phenyl-1,3-thiazole-4-carboxamide
• SMILES: COc1cc2c(Nc3nc(C(=O)Nc4ccccc4)cs3)ncnc2cc1OCCCN1CCOCC1
• InChI: InChI=1S/C26H28N6O4S/c1-34-22-14-19-20(15-23(22)36-11-5-8-32-9-12-35-13-10-32)27-17-28-24(19)31-26-30-21(16-37-26)25(33)29-18-6-3-2-4-7-18/h2-4,6-7,14-17H,5,8-13H2,1H3,(H,29,33)(H,27,28,30,31)
• InChIKey: RIBFZRWGJCKRQH-UHFFFAOYSA-N
• XLogP: 4.19
• TPSA: 110.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.62
LogP ≤ 5	4.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-N-phenyl-1,3-thiazole-4-carboxamide?

The IUPAC name of 2-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-N-phenyl-1,3-thiazole-4-carboxamide (CID 44591670) is 2-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-N-phenyl-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 2-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-N-phenyl-1,3-thiazole-4-carboxamide?

The canonical SMILES for 2-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-N-phenyl-1,3-thiazole-4-carboxamide is COc1cc2c(Nc3nc(C(=O)Nc4ccccc4)cs3)ncnc2cc1OCCCN1CCOCC1.

What is the InChIKey of 2-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-N-phenyl-1,3-thiazole-4-carboxamide?

The InChIKey is RIBFZRWGJCKRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O4S/c1-34-22-14-19-20(15-23(22)36-11-5-8-32-9-12-35-13-10-32)27-17-28-24(19)31-26-30-21(16-37-26)25(33)29-18-6-3-2-4-7-18/h2-4,6-7,14-17H,5,8-13H2,1H3,(H,29,33)(H,27,28,30,31).

What are the key properties of 2-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-N-phenyl-1,3-thiazole-4-carboxamide?

2-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-N-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 520.62 g/mol, XLogP of 4.19, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-N-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 44591670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).