7-(dimethylamino)-1-[(2-fluoro-4-methylphenyl)methyl]-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one

C24H20F4N4O2 — CID 58439698

About 7-(dimethylamino)-1-[(2-fluoro-4-methylphenyl)methyl]-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one

7-(dimethylamino)-1-[(2-fluoro-4-methylphenyl)methyl]-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one (PubChem CID 58439698) has the molecular formula C24H20F4N4O2 and a molecular weight of 472.44 g/mol. Its IUPAC name is 7-(dimethylamino)-1-[(2-fluoro-4-methylphenyl)methyl]-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one.

Molecular Properties

• Compound Name: 7-(dimethylamino)-1-[(2-fluoro-4-methylphenyl)methyl]-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one
• PubChem CID: 58439698
• Molecular Formula: C24H20F4N4O2
• Molecular Weight: 472.44 g/mol
• Exact Mass: 472.15
• IUPAC Name: 7-(dimethylamino)-1-[(2-fluoro-4-methylphenyl)methyl]-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one
• SMILES: Cc1ccc(Cn2cnc(=O)c3cc(Oc4ncccc4C(F)(F)F)c(N(C)C)cc32)c(F)c1
• InChI: InChI=1S/C24H20F4N4O2/c1-14-6-7-15(18(25)9-14)12-32-13-30-22(33)16-10-21(20(31(2)3)11-19(16)32)34-23-17(24(26,27)28)5-4-8-29-23/h4-11,13H,12H2,1-3H3
• InChIKey: OLGJLRQGNQORIL-UHFFFAOYSA-N
• XLogP: 5.16
• TPSA: 60.25 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.44
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-(dimethylamino)-1-[(2-fluoro-4-methylphenyl)methyl]-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one?

The IUPAC name of 7-(dimethylamino)-1-[(2-fluoro-4-methylphenyl)methyl]-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one (CID 58439698) is 7-(dimethylamino)-1-[(2-fluoro-4-methylphenyl)methyl]-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one.

What is the SMILES notation for 7-(dimethylamino)-1-[(2-fluoro-4-methylphenyl)methyl]-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one?

The canonical SMILES for 7-(dimethylamino)-1-[(2-fluoro-4-methylphenyl)methyl]-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one is Cc1ccc(Cn2cnc(=O)c3cc(Oc4ncccc4C(F)(F)F)c(N(C)C)cc32)c(F)c1.

What is the InChIKey of 7-(dimethylamino)-1-[(2-fluoro-4-methylphenyl)methyl]-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one?

The InChIKey is OLGJLRQGNQORIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F4N4O2/c1-14-6-7-15(18(25)9-14)12-32-13-30-22(33)16-10-21(20(31(2)3)11-19(16)32)34-23-17(24(26,27)28)5-4-8-29-23/h4-11,13H,12H2,1-3H3.

What are the key properties of 7-(dimethylamino)-1-[(2-fluoro-4-methylphenyl)methyl]-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one?

7-(dimethylamino)-1-[(2-fluoro-4-methylphenyl)methyl]-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one has a molecular weight of 472.44 g/mol, XLogP of 5.16, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(dimethylamino)-1-[(2-fluoro-4-methylphenyl)methyl]-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one is sourced from PubChem (CID 58439698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).