2-(4-methoxy-1-benzofuran-2-yl)-3-[(2-methoxy-4-morpholin-4-ylphenyl)methylideneamino]quinazolin-4-one

C29H26N4O5 — CID 126291974

About 2-(4-methoxy-1-benzofuran-2-yl)-3-[(2-methoxy-4-morpholin-4-ylphenyl)methylideneamino]quinazolin-4-one

2-(4-methoxy-1-benzofuran-2-yl)-3-[(2-methoxy-4-morpholin-4-ylphenyl)methylideneamino]quinazolin-4-one (PubChem CID 126291974) has the molecular formula C29H26N4O5 and a molecular weight of 510.55 g/mol. Its IUPAC name is 2-(4-methoxy-1-benzofuran-2-yl)-3-[(2-methoxy-4-morpholin-4-ylphenyl)methylideneamino]quinazolin-4-one.

Molecular Properties

• Compound Name: 2-(4-methoxy-1-benzofuran-2-yl)-3-[(2-methoxy-4-morpholin-4-ylphenyl)methylideneamino]quinazolin-4-one
• PubChem CID: 126291974
• Molecular Formula: C29H26N4O5
• Molecular Weight: 510.55 g/mol
• Exact Mass: 510.19
• IUPAC Name: 2-(4-methoxy-1-benzofuran-2-yl)-3-[(2-methoxy-4-morpholin-4-ylphenyl)methylideneamino]quinazolin-4-one
• SMILES: COc1cc(N2CCOCC2)ccc1C=Nn1c(-c2cc3c(OC)cccc3o2)nc2ccccc2c1=O
• InChI: InChI=1S/C29H26N4O5/c1-35-24-8-5-9-25-22(24)17-27(38-25)28-31-23-7-4-3-6-21(23)29(34)33(28)30-18-19-10-11-20(16-26(19)36-2)32-12-14-37-15-13-32/h3-11,16-18H,12-15H2,1-2H3
• InChIKey: XPDBLQHKUALDHZ-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 91.32 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.55
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-1-benzofuran-2-yl)-3-[(2-methoxy-4-morpholin-4-ylphenyl)methylideneamino]quinazolin-4-one?

The IUPAC name of 2-(4-methoxy-1-benzofuran-2-yl)-3-[(2-methoxy-4-morpholin-4-ylphenyl)methylideneamino]quinazolin-4-one (CID 126291974) is 2-(4-methoxy-1-benzofuran-2-yl)-3-[(2-methoxy-4-morpholin-4-ylphenyl)methylideneamino]quinazolin-4-one.

What is the SMILES notation for 2-(4-methoxy-1-benzofuran-2-yl)-3-[(2-methoxy-4-morpholin-4-ylphenyl)methylideneamino]quinazolin-4-one?

The canonical SMILES for 2-(4-methoxy-1-benzofuran-2-yl)-3-[(2-methoxy-4-morpholin-4-ylphenyl)methylideneamino]quinazolin-4-one is COc1cc(N2CCOCC2)ccc1C=Nn1c(-c2cc3c(OC)cccc3o2)nc2ccccc2c1=O.

What is the InChIKey of 2-(4-methoxy-1-benzofuran-2-yl)-3-[(2-methoxy-4-morpholin-4-ylphenyl)methylideneamino]quinazolin-4-one?

The InChIKey is XPDBLQHKUALDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N4O5/c1-35-24-8-5-9-25-22(24)17-27(38-25)28-31-23-7-4-3-6-21(23)29(34)33(28)30-18-19-10-11-20(16-26(19)36-2)32-12-14-37-15-13-32/h3-11,16-18H,12-15H2,1-2H3.

What are the key properties of 2-(4-methoxy-1-benzofuran-2-yl)-3-[(2-methoxy-4-morpholin-4-ylphenyl)methylideneamino]quinazolin-4-one?

2-(4-methoxy-1-benzofuran-2-yl)-3-[(2-methoxy-4-morpholin-4-ylphenyl)methylideneamino]quinazolin-4-one has a molecular weight of 510.55 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-methoxy-1-benzofuran-2-yl)-3-[(2-methoxy-4-morpholin-4-ylphenyl)methylideneamino]quinazolin-4-one is sourced from PubChem (CID 126291974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).