2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-3-[(2-methoxynaphthalen-1-yl)methylideneamino]quinazolin-4-one

C32H31N3O3 — CID 126287182

About 2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-3-[(2-methoxynaphthalen-1-yl)methylideneamino]quinazolin-4-one

2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-3-[(2-methoxynaphthalen-1-yl)methylideneamino]quinazolin-4-one (PubChem CID 126287182) has the molecular formula C32H31N3O3 and a molecular weight of 505.62 g/mol. Its IUPAC name is 2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-3-[(2-methoxynaphthalen-1-yl)methylideneamino]quinazolin-4-one.

Molecular Properties

• Compound Name: 2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-3-[(2-methoxynaphthalen-1-yl)methylideneamino]quinazolin-4-one
• PubChem CID: 126287182
• Molecular Formula: C32H31N3O3
• Molecular Weight: 505.62 g/mol
• Exact Mass: 505.24
• IUPAC Name: 2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-3-[(2-methoxynaphthalen-1-yl)methylideneamino]quinazolin-4-one
• SMILES: CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2c(OC)ccc3ccccc23)cc1C(C)C
• InChI: InChI=1S/C32H31N3O3/c1-6-38-30-17-21(4)26(18-25(30)20(2)3)31-34-28-14-10-9-13-24(28)32(36)35(31)33-19-27-23-12-8-7-11-22(23)15-16-29(27)37-5/h7-20H,6H2,1-5H3
• InChIKey: LFWGCOKBPUZJTA-UHFFFAOYSA-N
• XLogP: 6.94
• TPSA: 65.71 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	505.62
LogP ≤ 5	6.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-3-[(2-methoxynaphthalen-1-yl)methylideneamino]quinazolin-4-one?

The IUPAC name of 2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-3-[(2-methoxynaphthalen-1-yl)methylideneamino]quinazolin-4-one (CID 126287182) is 2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-3-[(2-methoxynaphthalen-1-yl)methylideneamino]quinazolin-4-one.

What is the SMILES notation for 2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-3-[(2-methoxynaphthalen-1-yl)methylideneamino]quinazolin-4-one?

The canonical SMILES for 2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-3-[(2-methoxynaphthalen-1-yl)methylideneamino]quinazolin-4-one is CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2c(OC)ccc3ccccc23)cc1C(C)C.

What is the InChIKey of 2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-3-[(2-methoxynaphthalen-1-yl)methylideneamino]quinazolin-4-one?

The InChIKey is LFWGCOKBPUZJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31N3O3/c1-6-38-30-17-21(4)26(18-25(30)20(2)3)31-34-28-14-10-9-13-24(28)32(36)35(31)33-19-27-23-12-8-7-11-22(23)15-16-29(27)37-5/h7-20H,6H2,1-5H3.

What are the key properties of 2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-3-[(2-methoxynaphthalen-1-yl)methylideneamino]quinazolin-4-one?

2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-3-[(2-methoxynaphthalen-1-yl)methylideneamino]quinazolin-4-one has a molecular weight of 505.62 g/mol, XLogP of 6.94, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-3-[(2-methoxynaphthalen-1-yl)methylideneamino]quinazolin-4-one is sourced from PubChem (CID 126287182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).