3-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-methoxy-1-benzofuran-2-yl)quinazolin-4-one

C35H24FN3O4 — CID 126301616

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

3-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-methoxy-1-benzofuran-2-yl)quinazolin-4-one (PubChem CID 126301616) has the molecular formula C35H24FN3O4 and a molecular weight of 569.59 g/mol. Its IUPAC name is 3-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-methoxy-1-benzofuran-2-yl)quinazolin-4-one.

Molecular Properties

• Compound Name: 3-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-methoxy-1-benzofuran-2-yl)quinazolin-4-one
• PubChem CID: 126301616
• Molecular Formula: C35H24FN3O4
• Molecular Weight: 569.59 g/mol
• Exact Mass: 569.18
• IUPAC Name: 3-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-methoxy-1-benzofuran-2-yl)quinazolin-4-one
• SMILES: COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3c(OCc4ccccc4F)ccc4ccccc34)cc12
• InChI: InChI=1S/C35H24FN3O4/c1-41-30-15-8-16-32-26(30)19-33(43-32)34-38-29-14-7-5-12-25(29)35(40)39(34)37-20-27-24-11-4-2-9-22(24)17-18-31(27)42-21-23-10-3-6-13-28(23)36/h2-20H,21H2,1H3
• InChIKey: FJDRTJZGVXQFEO-UHFFFAOYSA-N
• XLogP: 7.57
• TPSA: 78.85 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	569.59
LogP ≤ 5	7.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 3-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-methoxy-1-benzofuran-2-yl)quinazolin-4-one (CID 126301616) is 3-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-methoxy-1-benzofuran-2-yl)quinazolin-4-one.

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

The canonical SMILES for 3-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-methoxy-1-benzofuran-2-yl)quinazolin-4-one is COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3c(OCc4ccccc4F)ccc4ccccc34)cc12.

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

The InChIKey is FJDRTJZGVXQFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H24FN3O4/c1-41-30-15-8-16-32-26(30)19-33(43-32)34-38-29-14-7-5-12-25(29)35(40)39(34)37-20-27-24-11-4-2-9-22(24)17-18-31(27)42-21-23-10-3-6-13-28(23)36/h2-20H,21H2,1H3.

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

3-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-methoxy-1-benzofuran-2-yl)quinazolin-4-one has a molecular weight of 569.59 g/mol, XLogP of 7.57, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-methoxy-1-benzofuran-2-yl)quinazolin-4-one is sourced from PubChem (CID 126301616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).