N-(4-fluorophenyl)-2-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1,3-thiazole-5-carboxamide

C26H27FN6O4S — CID 11663832

About N-(4-fluorophenyl)-2-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1,3-thiazole-5-carboxamide

N-(4-fluorophenyl)-2-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1,3-thiazole-5-carboxamide (PubChem CID 11663832) has the molecular formula C26H27FN6O4S and a molecular weight of 538.61 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-(4-fluorophenyl)-2-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1,3-thiazole-5-carboxamide
• PubChem CID: 11663832
• Molecular Formula: C26H27FN6O4S
• Molecular Weight: 538.61 g/mol
• Exact Mass: 538.18
• IUPAC Name: N-(4-fluorophenyl)-2-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1,3-thiazole-5-carboxamide
• SMILES: COc1cc2c(Nc3ncc(C(=O)Nc4ccc(F)cc4)s3)ncnc2cc1OCCCN1CCOCC1
• InChI: InChI=1S/C26H27FN6O4S/c1-35-21-13-19-20(14-22(21)37-10-2-7-33-8-11-36-12-9-33)29-16-30-24(19)32-26-28-15-23(38-26)25(34)31-18-5-3-17(27)4-6-18/h3-6,13-16H,2,7-12H2,1H3,(H,31,34)(H,28,29,30,32)
• InChIKey: GUKNWLMFOBWSRH-UHFFFAOYSA-N
• XLogP: 4.33
• TPSA: 110.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	538.61
LogP ≤ 5	4.33
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 N-(4-fluorophenyl)-2-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1,3-thiazole-5-carboxamide?

The IUPAC name of N-(4-fluorophenyl)-2-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1,3-thiazole-5-carboxamide (CID 11663832) is N-(4-fluorophenyl)-2-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1,3-thiazole-5-carboxamide.

What is the SMILES notation for N-(4-fluorophenyl)-2-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1,3-thiazole-5-carboxamide?

The canonical SMILES for N-(4-fluorophenyl)-2-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1,3-thiazole-5-carboxamide is COc1cc2c(Nc3ncc(C(=O)Nc4ccc(F)cc4)s3)ncnc2cc1OCCCN1CCOCC1.

What is the InChIKey of N-(4-fluorophenyl)-2-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1,3-thiazole-5-carboxamide?

The InChIKey is GUKNWLMFOBWSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN6O4S/c1-35-21-13-19-20(14-22(21)37-10-2-7-33-8-11-36-12-9-33)29-16-30-24(19)32-26-28-15-23(38-26)25(34)31-18-5-3-17(27)4-6-18/h3-6,13-16H,2,7-12H2,1H3,(H,31,34)(H,28,29,30,32).

What are the key properties of N-(4-fluorophenyl)-2-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1,3-thiazole-5-carboxamide?

N-(4-fluorophenyl)-2-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1,3-thiazole-5-carboxamide has a molecular weight of 538.61 g/mol, XLogP of 4.33, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-fluorophenyl)-2-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 11663832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).