2-(4-methoxyphenyl)-6-[[2-(4-methoxyphenyl)-3-methyl-4-oxo-1,2-dihydroquinazolin-6-yl]methyl]-3-methyl-1,2-dihydroquinazolin-4-one

C33H32N4O4 — CID 11017075

About 2-(4-methoxyphenyl)-6-[[2-(4-methoxyphenyl)-3-methyl-4-oxo-1,2-dihydroquinazolin-6-yl]methyl]-3-methyl-1,2-dihydroquinazolin-4-one

2-(4-methoxyphenyl)-6-[[2-(4-methoxyphenyl)-3-methyl-4-oxo-1,2-dihydroquinazolin-6-yl]methyl]-3-methyl-1,2-dihydroquinazolin-4-one (PubChem CID 11017075) has the molecular formula C33H32N4O4 and a molecular weight of 548.64 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-6-[[2-(4-methoxyphenyl)-3-methyl-4-oxo-1,2-dihydroquinazolin-6-yl]methyl]-3-methyl-1,2-dihydroquinazolin-4-one.

Molecular Properties

• Compound Name: 2-(4-methoxyphenyl)-6-[[2-(4-methoxyphenyl)-3-methyl-4-oxo-1,2-dihydroquinazolin-6-yl]methyl]-3-methyl-1,2-dihydroquinazolin-4-one
• PubChem CID: 11017075
• Molecular Formula: C33H32N4O4
• Molecular Weight: 548.64 g/mol
• Exact Mass: 548.24
• IUPAC Name: 2-(4-methoxyphenyl)-6-[[2-(4-methoxyphenyl)-3-methyl-4-oxo-1,2-dihydroquinazolin-6-yl]methyl]-3-methyl-1,2-dihydroquinazolin-4-one
• SMILES: COc1ccc(C2Nc3ccc(Cc4ccc5c(c4)C(=O)N(C)C(c4ccc(OC)cc4)N5)cc3C(=O)N2C)cc1
• InChI: InChI=1S/C33H32N4O4/c1-36-30(22-7-11-24(40-3)12-8-22)34-28-15-5-20(18-26(28)32(36)38)17-21-6-16-29-27(19-21)33(39)37(2)31(35-29)23-9-13-25(41-4)14-10-23/h5-16,18-19,30-31,34-35H,17H2,1-4H3
• InChIKey: ZMPIHLJDXVQKLP-UHFFFAOYSA-N
• XLogP: 5.69
• TPSA: 83.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	548.64
LogP ≤ 5	5.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-6-[[2-(4-methoxyphenyl)-3-methyl-4-oxo-1,2-dihydroquinazolin-6-yl]methyl]-3-methyl-1,2-dihydroquinazolin-4-one?

The IUPAC name of 2-(4-methoxyphenyl)-6-[[2-(4-methoxyphenyl)-3-methyl-4-oxo-1,2-dihydroquinazolin-6-yl]methyl]-3-methyl-1,2-dihydroquinazolin-4-one (CID 11017075) is 2-(4-methoxyphenyl)-6-[[2-(4-methoxyphenyl)-3-methyl-4-oxo-1,2-dihydroquinazolin-6-yl]methyl]-3-methyl-1,2-dihydroquinazolin-4-one.

What is the SMILES notation for 2-(4-methoxyphenyl)-6-[[2-(4-methoxyphenyl)-3-methyl-4-oxo-1,2-dihydroquinazolin-6-yl]methyl]-3-methyl-1,2-dihydroquinazolin-4-one?

The canonical SMILES for 2-(4-methoxyphenyl)-6-[[2-(4-methoxyphenyl)-3-methyl-4-oxo-1,2-dihydroquinazolin-6-yl]methyl]-3-methyl-1,2-dihydroquinazolin-4-one is COc1ccc(C2Nc3ccc(Cc4ccc5c(c4)C(=O)N(C)C(c4ccc(OC)cc4)N5)cc3C(=O)N2C)cc1.

What is the InChIKey of 2-(4-methoxyphenyl)-6-[[2-(4-methoxyphenyl)-3-methyl-4-oxo-1,2-dihydroquinazolin-6-yl]methyl]-3-methyl-1,2-dihydroquinazolin-4-one?

The InChIKey is ZMPIHLJDXVQKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32N4O4/c1-36-30(22-7-11-24(40-3)12-8-22)34-28-15-5-20(18-26(28)32(36)38)17-21-6-16-29-27(19-21)33(39)37(2)31(35-29)23-9-13-25(41-4)14-10-23/h5-16,18-19,30-31,34-35H,17H2,1-4H3.

What are the key properties of 2-(4-methoxyphenyl)-6-[[2-(4-methoxyphenyl)-3-methyl-4-oxo-1,2-dihydroquinazolin-6-yl]methyl]-3-methyl-1,2-dihydroquinazolin-4-one?

2-(4-methoxyphenyl)-6-[[2-(4-methoxyphenyl)-3-methyl-4-oxo-1,2-dihydroquinazolin-6-yl]methyl]-3-methyl-1,2-dihydroquinazolin-4-one has a molecular weight of 548.64 g/mol, XLogP of 5.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-methoxyphenyl)-6-[[2-(4-methoxyphenyl)-3-methyl-4-oxo-1,2-dihydroquinazolin-6-yl]methyl]-3-methyl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 11017075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).