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

C45H46N6O4 — CID 162651921

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

6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-2-oxo-4-phenyl-4H-quinazolin-3-yl]pentyl]-1-methyl-4-phenyl-4H-quinazolin-2-one (PubChem CID 162651921) has the molecular formula C45H46N6O4 and a molecular weight of 734.90 g/mol. Its IUPAC name is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-2-oxo-4-phenyl-4H-quinazolin-3-yl]pentyl]-1-methyl-4-phenyl-4H-quinazolin-2-one.

Molecular Properties

• Compound Name: 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-2-oxo-4-phenyl-4H-quinazolin-3-yl]pentyl]-1-methyl-4-phenyl-4H-quinazolin-2-one
• PubChem CID: 162651921
• Molecular Formula: C45H46N6O4
• Molecular Weight: 734.90 g/mol
• Exact Mass: 734.36
• IUPAC Name: 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-2-oxo-4-phenyl-4H-quinazolin-3-yl]pentyl]-1-methyl-4-phenyl-4H-quinazolin-2-one
• SMILES: Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(CCCCCN1C(=O)N(C)c3ccc(-c4c(C)noc4C)cc3C1c1ccccc1)C(=O)N2C
• InChI: InChI=1S/C45H46N6O4/c1-28-40(30(3)54-46-28)34-20-22-38-36(26-34)42(32-16-10-7-11-17-32)50(44(52)48(38)5)24-14-9-15-25-51-43(33-18-12-8-13-19-33)37-27-35(41-29(2)47-55-31(41)4)21-23-39(37)49(6)45(51)53/h7-8,10-13,16-23,26-27,42-43H,9,14-15,24-25H2,1-6H3
• InChIKey: RYRUXDOABIPFCX-UHFFFAOYSA-N
• XLogP: 10.02
• TPSA: 99.16 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	734.90
LogP ≤ 5	10.02
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-[5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-2-oxo-4-phenyl-4H-quinazolin-3-yl]pentyl]-1-methyl-4-phenyl-4H-quinazolin-2-one?

The IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-2-oxo-4-phenyl-4H-quinazolin-3-yl]pentyl]-1-methyl-4-phenyl-4H-quinazolin-2-one (CID 162651921) is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-2-oxo-4-phenyl-4H-quinazolin-3-yl]pentyl]-1-methyl-4-phenyl-4H-quinazolin-2-one.

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

The canonical SMILES for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-2-oxo-4-phenyl-4H-quinazolin-3-yl]pentyl]-1-methyl-4-phenyl-4H-quinazolin-2-one is Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(CCCCCN1C(=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-[5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-2-oxo-4-phenyl-4H-quinazolin-3-yl]pentyl]-1-methyl-4-phenyl-4H-quinazolin-2-one?

The InChIKey is RYRUXDOABIPFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H46N6O4/c1-28-40(30(3)54-46-28)34-20-22-38-36(26-34)42(32-16-10-7-11-17-32)50(44(52)48(38)5)24-14-9-15-25-51-43(33-18-12-8-13-19-33)37-27-35(41-29(2)47-55-31(41)4)21-23-39(37)49(6)45(51)53/h7-8,10-13,16-23,26-27,42-43H,9,14-15,24-25H2,1-6H3.

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

6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-2-oxo-4-phenyl-4H-quinazolin-3-yl]pentyl]-1-methyl-4-phenyl-4H-quinazolin-2-one has a molecular weight of 734.90 g/mol, XLogP of 10.02, 10 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-[5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-2-oxo-4-phenyl-4H-quinazolin-3-yl]pentyl]-1-methyl-4-phenyl-4H-quinazolin-2-one is sourced from PubChem (CID 162651921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).