3-[4-(7-methoxyquinazolin-4-yl)oxy-3-methylphenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione

C25H18F3N5O4 — CID 165167145

About 3-[4-(7-methoxyquinazolin-4-yl)oxy-3-methylphenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione

3-[4-(7-methoxyquinazolin-4-yl)oxy-3-methylphenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione (PubChem CID 165167145) has the molecular formula C25H18F3N5O4 and a molecular weight of 509.44 g/mol. Its IUPAC name is 3-[4-(7-methoxyquinazolin-4-yl)oxy-3-methylphenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 3-[4-(7-methoxyquinazolin-4-yl)oxy-3-methylphenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione
• PubChem CID: 165167145
• Molecular Formula: C25H18F3N5O4
• Molecular Weight: 509.44 g/mol
• Exact Mass: 509.13
• IUPAC Name: 3-[4-(7-methoxyquinazolin-4-yl)oxy-3-methylphenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione
• SMILES: COc1ccc2c(Oc3ccc(N4C(=O)CN(c5cncc(C(F)(F)F)c5)C4=O)cc3C)ncnc2c1
• InChI: InChI=1S/C25H18F3N5O4/c1-14-7-16(3-6-21(14)37-23-19-5-4-18(36-2)9-20(19)30-13-31-23)33-22(34)12-32(24(33)35)17-8-15(10-29-11-17)25(26,27)28/h3-11,13H,12H2,1-2H3
• InChIKey: WPRMLCGEWHBBPY-UHFFFAOYSA-N
• XLogP: 5.13
• TPSA: 97.75 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	509.44
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[4-(7-methoxyquinazolin-4-yl)oxy-3-methylphenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione?

The IUPAC name of 3-[4-(7-methoxyquinazolin-4-yl)oxy-3-methylphenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione (CID 165167145) is 3-[4-(7-methoxyquinazolin-4-yl)oxy-3-methylphenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione.

What is the SMILES notation for 3-[4-(7-methoxyquinazolin-4-yl)oxy-3-methylphenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione?

The canonical SMILES for 3-[4-(7-methoxyquinazolin-4-yl)oxy-3-methylphenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione is COc1ccc2c(Oc3ccc(N4C(=O)CN(c5cncc(C(F)(F)F)c5)C4=O)cc3C)ncnc2c1.

What is the InChIKey of 3-[4-(7-methoxyquinazolin-4-yl)oxy-3-methylphenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione?

The InChIKey is WPRMLCGEWHBBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F3N5O4/c1-14-7-16(3-6-21(14)37-23-19-5-4-18(36-2)9-20(19)30-13-31-23)33-22(34)12-32(24(33)35)17-8-15(10-29-11-17)25(26,27)28/h3-11,13H,12H2,1-2H3.

What are the key properties of 3-[4-(7-methoxyquinazolin-4-yl)oxy-3-methylphenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione?

3-[4-(7-methoxyquinazolin-4-yl)oxy-3-methylphenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione has a molecular weight of 509.44 g/mol, XLogP of 5.13, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(7-methoxyquinazolin-4-yl)oxy-3-methylphenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione is sourced from PubChem (CID 165167145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).