8-(4-fluorophenyl)-2-thiophen-2-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one

C19H13FN4OS — CID 66505880

About 8-(4-fluorophenyl)-2-thiophen-2-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one

8-(4-fluorophenyl)-2-thiophen-2-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one (PubChem CID 66505880) has the molecular formula C19H13FN4OS and a molecular weight of 364.41 g/mol. Its IUPAC name is 8-(4-fluorophenyl)-2-thiophen-2-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one.

Molecular Properties

• Compound Name: 8-(4-fluorophenyl)-2-thiophen-2-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
• PubChem CID: 66505880
• Molecular Formula: C19H13FN4OS
• Molecular Weight: 364.41 g/mol
• Exact Mass: 364.08
• IUPAC Name: 8-(4-fluorophenyl)-2-thiophen-2-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
• SMILES: O=C1CC(c2ccc(F)cc2)Cc2c1cnc1nc(-c3cccs3)nn21
• InChI: InChI=1S/C19H13FN4OS/c20-13-5-3-11(4-6-13)12-8-15-14(16(25)9-12)10-21-19-22-18(23-24(15)19)17-2-1-7-26-17/h1-7,10,12H,8-9H2
• InChIKey: RLBMJHTUZDGKKJ-UHFFFAOYSA-N
• XLogP: 3.90
• TPSA: 60.15 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.41
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 8-(4-fluorophenyl)-2-thiophen-2-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one?

The IUPAC name of 8-(4-fluorophenyl)-2-thiophen-2-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one (CID 66505880) is 8-(4-fluorophenyl)-2-thiophen-2-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one.

What is the SMILES notation for 8-(4-fluorophenyl)-2-thiophen-2-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one?

The canonical SMILES for 8-(4-fluorophenyl)-2-thiophen-2-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one is O=C1CC(c2ccc(F)cc2)Cc2c1cnc1nc(-c3cccs3)nn21.

What is the InChIKey of 8-(4-fluorophenyl)-2-thiophen-2-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one?

The InChIKey is RLBMJHTUZDGKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN4OS/c20-13-5-3-11(4-6-13)12-8-15-14(16(25)9-12)10-21-19-22-18(23-24(15)19)17-2-1-7-26-17/h1-7,10,12H,8-9H2.

What are the key properties of 8-(4-fluorophenyl)-2-thiophen-2-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one?

8-(4-fluorophenyl)-2-thiophen-2-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one has a molecular weight of 364.41 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(4-fluorophenyl)-2-thiophen-2-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one is sourced from PubChem (CID 66505880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).