6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-2-oxo-4-phenyl-4H-quinazolin-3-yl]butyl]-1-methyl-4-phenyl-4H-quinazolin-2-one

C44H44N6O4 — CID 141488032

About 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-2-oxo-4-phenyl-4H-quinazolin-3-yl]butyl]-1-methyl-4-phenyl-4H-quinazolin-2-one

6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-2-oxo-4-phenyl-4H-quinazolin-3-yl]butyl]-1-methyl-4-phenyl-4H-quinazolin-2-one (PubChem CID 141488032) has the molecular formula C44H44N6O4 and a molecular weight of 720.87 g/mol. Its IUPAC name is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-2-oxo-4-phenyl-4H-quinazolin-3-yl]butyl]-1-methyl-4-phenyl-4H-quinazolin-2-one.

Molecular Properties

• Compound Name: 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-2-oxo-4-phenyl-4H-quinazolin-3-yl]butyl]-1-methyl-4-phenyl-4H-quinazolin-2-one
• PubChem CID: 141488032
• Molecular Formula: C44H44N6O4
• Molecular Weight: 720.87 g/mol
• Exact Mass: 720.34
• IUPAC Name: 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-2-oxo-4-phenyl-4H-quinazolin-3-yl]butyl]-1-methyl-4-phenyl-4H-quinazolin-2-one
• SMILES: Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(CCCCN1C(=O)N(C)c3ccc(-c4c(C)noc4C)cc3C1c1ccccc1)C(=O)N2C
• InChI: InChI=1S/C44H44N6O4/c1-27-39(29(3)53-45-27)33-19-21-37-35(25-33)41(31-15-9-7-10-16-31)49(43(51)47(37)5)23-13-14-24-50-42(32-17-11-8-12-18-32)36-26-34(40-28(2)46-54-30(40)4)20-22-38(36)48(6)44(50)52/h7-12,15-22,25-26,41-42H,13-14,23-24H2,1-6H3
• InChIKey: AKIYLZCBGIIJHU-UHFFFAOYSA-N
• XLogP: 9.63
• TPSA: 99.16 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	720.87
LogP ≤ 5	9.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-2-oxo-4-phenyl-4H-quinazolin-3-yl]butyl]-1-methyl-4-phenyl-4H-quinazolin-2-one?

The IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-2-oxo-4-phenyl-4H-quinazolin-3-yl]butyl]-1-methyl-4-phenyl-4H-quinazolin-2-one (CID 141488032) is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-2-oxo-4-phenyl-4H-quinazolin-3-yl]butyl]-1-methyl-4-phenyl-4H-quinazolin-2-one.

What is the SMILES notation for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-2-oxo-4-phenyl-4H-quinazolin-3-yl]butyl]-1-methyl-4-phenyl-4H-quinazolin-2-one?

The canonical SMILES for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-2-oxo-4-phenyl-4H-quinazolin-3-yl]butyl]-1-methyl-4-phenyl-4H-quinazolin-2-one is Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(CCCCN1C(=O)N(C)c3ccc(-c4c(C)noc4C)cc3C1c1ccccc1)C(=O)N2C.

What is the InChIKey of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-2-oxo-4-phenyl-4H-quinazolin-3-yl]butyl]-1-methyl-4-phenyl-4H-quinazolin-2-one?

The InChIKey is AKIYLZCBGIIJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H44N6O4/c1-27-39(29(3)53-45-27)33-19-21-37-35(25-33)41(31-15-9-7-10-16-31)49(43(51)47(37)5)23-13-14-24-50-42(32-17-11-8-12-18-32)36-26-34(40-28(2)46-54-30(40)4)20-22-38(36)48(6)44(50)52/h7-12,15-22,25-26,41-42H,13-14,23-24H2,1-6H3.

What are the key properties of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-2-oxo-4-phenyl-4H-quinazolin-3-yl]butyl]-1-methyl-4-phenyl-4H-quinazolin-2-one?

6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-2-oxo-4-phenyl-4H-quinazolin-3-yl]butyl]-1-methyl-4-phenyl-4H-quinazolin-2-one has a molecular weight of 720.87 g/mol, XLogP of 9.63, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-2-oxo-4-phenyl-4H-quinazolin-3-yl]butyl]-1-methyl-4-phenyl-4H-quinazolin-2-one is sourced from PubChem (CID 141488032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).