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

C46H48N6O4 — CID 162646302

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

6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[6-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-2-oxo-4-phenyl-4H-quinazolin-3-yl]hexyl]-1-methyl-4-phenyl-4H-quinazolin-2-one (PubChem CID 162646302) has the molecular formula C46H48N6O4 and a molecular weight of 748.93 g/mol. Its IUPAC name is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[6-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-2-oxo-4-phenyl-4H-quinazolin-3-yl]hexyl]-1-methyl-4-phenyl-4H-quinazolin-2-one.

Molecular Properties

• Compound Name: 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[6-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-2-oxo-4-phenyl-4H-quinazolin-3-yl]hexyl]-1-methyl-4-phenyl-4H-quinazolin-2-one
• PubChem CID: 162646302
• Molecular Formula: C46H48N6O4
• Molecular Weight: 748.93 g/mol
• Exact Mass: 748.37
• IUPAC Name: 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[6-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-2-oxo-4-phenyl-4H-quinazolin-3-yl]hexyl]-1-methyl-4-phenyl-4H-quinazolin-2-one
• SMILES: Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(CCCCCCN1C(=O)N(C)c3ccc(-c4c(C)noc4C)cc3C1c1ccccc1)C(=O)N2C
• InChI: InChI=1S/C46H48N6O4/c1-29-41(31(3)55-47-29)35-21-23-39-37(27-35)43(33-17-11-9-12-18-33)51(45(53)49(39)5)25-15-7-8-16-26-52-44(34-19-13-10-14-20-34)38-28-36(42-30(2)48-56-32(42)4)22-24-40(38)50(6)46(52)54/h9-14,17-24,27-28,43-44H,7-8,15-16,25-26H2,1-6H3
• InChIKey: IISSNOXIKRDDLM-UHFFFAOYSA-N
• XLogP: 10.41
• TPSA: 99.16 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	748.93
LogP ≤ 5	10.41
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-[6-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-2-oxo-4-phenyl-4H-quinazolin-3-yl]hexyl]-1-methyl-4-phenyl-4H-quinazolin-2-one?

The IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[6-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-2-oxo-4-phenyl-4H-quinazolin-3-yl]hexyl]-1-methyl-4-phenyl-4H-quinazolin-2-one (CID 162646302) is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[6-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-2-oxo-4-phenyl-4H-quinazolin-3-yl]hexyl]-1-methyl-4-phenyl-4H-quinazolin-2-one.

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

The canonical SMILES for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[6-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-2-oxo-4-phenyl-4H-quinazolin-3-yl]hexyl]-1-methyl-4-phenyl-4H-quinazolin-2-one is Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(CCCCCCN1C(=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-[6-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-2-oxo-4-phenyl-4H-quinazolin-3-yl]hexyl]-1-methyl-4-phenyl-4H-quinazolin-2-one?

The InChIKey is IISSNOXIKRDDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H48N6O4/c1-29-41(31(3)55-47-29)35-21-23-39-37(27-35)43(33-17-11-9-12-18-33)51(45(53)49(39)5)25-15-7-8-16-26-52-44(34-19-13-10-14-20-34)38-28-36(42-30(2)48-56-32(42)4)22-24-40(38)50(6)46(52)54/h9-14,17-24,27-28,43-44H,7-8,15-16,25-26H2,1-6H3.

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

6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[6-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-2-oxo-4-phenyl-4H-quinazolin-3-yl]hexyl]-1-methyl-4-phenyl-4H-quinazolin-2-one has a molecular weight of 748.93 g/mol, XLogP of 10.41, 11 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-[6-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-2-oxo-4-phenyl-4H-quinazolin-3-yl]hexyl]-1-methyl-4-phenyl-4H-quinazolin-2-one is sourced from PubChem (CID 162646302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).