4-[[6,7-dimethoxy-1-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-phenylbenzamide

C32H29N3O5 — CID 50793351

About 4-[[6,7-dimethoxy-1-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-phenylbenzamide

4-[[6,7-dimethoxy-1-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-phenylbenzamide (PubChem CID 50793351) has the molecular formula C32H29N3O5 and a molecular weight of 535.60 g/mol. Its IUPAC name is 4-[[6,7-dimethoxy-1-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-phenylbenzamide.

Molecular Properties

• Compound Name: 4-[[6,7-dimethoxy-1-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-phenylbenzamide
• PubChem CID: 50793351
• Molecular Formula: C32H29N3O5
• Molecular Weight: 535.60 g/mol
• Exact Mass: 535.21
• IUPAC Name: 4-[[6,7-dimethoxy-1-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-phenylbenzamide
• SMILES: COc1cc2c(=O)n(Cc3ccc(C(=O)Nc4ccccc4)cc3)c(=O)n(Cc3ccc(C)cc3)c2cc1OC
• InChI: InChI=1S/C32H29N3O5/c1-21-9-11-22(12-10-21)19-34-27-18-29(40-3)28(39-2)17-26(27)31(37)35(32(34)38)20-23-13-15-24(16-14-23)30(36)33-25-7-5-4-6-8-25/h4-18H,19-20H2,1-3H3,(H,33,36)
• InChIKey: UPHHEKZXWMRKOF-UHFFFAOYSA-N
• XLogP: 4.84
• TPSA: 91.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.60
LogP ≤ 5	4.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[[6,7-dimethoxy-1-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-phenylbenzamide?

The IUPAC name of 4-[[6,7-dimethoxy-1-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-phenylbenzamide (CID 50793351) is 4-[[6,7-dimethoxy-1-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-phenylbenzamide.

What is the SMILES notation for 4-[[6,7-dimethoxy-1-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-phenylbenzamide?

The canonical SMILES for 4-[[6,7-dimethoxy-1-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-phenylbenzamide is COc1cc2c(=O)n(Cc3ccc(C(=O)Nc4ccccc4)cc3)c(=O)n(Cc3ccc(C)cc3)c2cc1OC.

What is the InChIKey of 4-[[6,7-dimethoxy-1-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-phenylbenzamide?

The InChIKey is UPHHEKZXWMRKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N3O5/c1-21-9-11-22(12-10-21)19-34-27-18-29(40-3)28(39-2)17-26(27)31(37)35(32(34)38)20-23-13-15-24(16-14-23)30(36)33-25-7-5-4-6-8-25/h4-18H,19-20H2,1-3H3,(H,33,36).

What are the key properties of 4-[[6,7-dimethoxy-1-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-phenylbenzamide?

4-[[6,7-dimethoxy-1-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-phenylbenzamide has a molecular weight of 535.60 g/mol, XLogP of 4.84, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[6,7-dimethoxy-1-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-phenylbenzamide is sourced from PubChem (CID 50793351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).