(2-fluorophenyl)-[4-[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl]methanone

C27H23FN6O — CID 46045248

About (2-fluorophenyl)-[4-[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl]methanone

(2-fluorophenyl)-[4-[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl]methanone (PubChem CID 46045248) has the molecular formula C27H23FN6O and a molecular weight of 466.52 g/mol. Its IUPAC name is (2-fluorophenyl)-[4-[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: (2-fluorophenyl)-[4-[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl]methanone
• PubChem CID: 46045248
• Molecular Formula: C27H23FN6O
• Molecular Weight: 466.52 g/mol
• Exact Mass: 466.19
• IUPAC Name: (2-fluorophenyl)-[4-[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl]methanone
• SMILES: Cc1cccc(-c2nnc3c4ccccc4nc(N4CCN(C(=O)c5ccccc5F)CC4)n23)c1
• InChI: InChI=1S/C27H23FN6O/c1-18-7-6-8-19(17-18)24-30-31-25-21-10-3-5-12-23(21)29-27(34(24)25)33-15-13-32(14-16-33)26(35)20-9-2-4-11-22(20)28/h2-12,17H,13-16H2,1H3
• InChIKey: SOSLCCQAOVXGSB-UHFFFAOYSA-N
• XLogP: 4.35
• TPSA: 66.63 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.52
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[4-[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl]methanone?

The IUPAC name of (2-fluorophenyl)-[4-[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl]methanone (CID 46045248) is (2-fluorophenyl)-[4-[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl]methanone.

What is the SMILES notation for (2-fluorophenyl)-[4-[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl]methanone?

The canonical SMILES for (2-fluorophenyl)-[4-[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl]methanone is Cc1cccc(-c2nnc3c4ccccc4nc(N4CCN(C(=O)c5ccccc5F)CC4)n23)c1.

What is the InChIKey of (2-fluorophenyl)-[4-[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl]methanone?

The InChIKey is SOSLCCQAOVXGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN6O/c1-18-7-6-8-19(17-18)24-30-31-25-21-10-3-5-12-23(21)29-27(34(24)25)33-15-13-32(14-16-33)26(35)20-9-2-4-11-22(20)28/h2-12,17H,13-16H2,1H3.

What are the key properties of (2-fluorophenyl)-[4-[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl]methanone?

(2-fluorophenyl)-[4-[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl]methanone has a molecular weight of 466.52 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2-fluorophenyl)-[4-[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 46045248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).