2-[7-(5-fluoro-3-pyridinyl)quinazolin-2-yl]-1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-4-yl]ethanone

C24H22FN5O2 — CID 147857111

About 2-[7-(5-fluoro-3-pyridinyl)quinazolin-2-yl]-1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-4-yl]ethanone

2-[7-(5-fluoro-3-pyridinyl)quinazolin-2-yl]-1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-4-yl]ethanone (PubChem CID 147857111) has the molecular formula C24H22FN5O2 and a molecular weight of 431.47 g/mol. Its IUPAC name is 2-[7-(5-fluoro-3-pyridinyl)quinazolin-2-yl]-1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-4-yl]ethanone.

Molecular Properties

• Compound Name: 2-[7-(5-fluoro-3-pyridinyl)quinazolin-2-yl]-1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-4-yl]ethanone
• PubChem CID: 147857111
• Molecular Formula: C24H22FN5O2
• Molecular Weight: 431.47 g/mol
• Exact Mass: 431.18
• IUPAC Name: 2-[7-(5-fluoro-3-pyridinyl)quinazolin-2-yl]-1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-4-yl]ethanone
• SMILES: CN1CCC(c2nc(C(=O)Cc3ncc4ccc(-c5cncc(F)c5)cc4n3)co2)CC1
• InChI: InChI=1S/C24H22FN5O2/c1-30-6-4-15(5-7-30)24-29-21(14-32-24)22(31)10-23-27-12-17-3-2-16(9-20(17)28-23)18-8-19(25)13-26-11-18/h2-3,8-9,11-15H,4-7,10H2,1H3
• InChIKey: HVYIBTHSIWERER-UHFFFAOYSA-N
• XLogP: 4.05
• TPSA: 85.01 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.47
LogP ≤ 5	4.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[7-(5-fluoro-3-pyridinyl)quinazolin-2-yl]-1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-4-yl]ethanone?

The IUPAC name of 2-[7-(5-fluoro-3-pyridinyl)quinazolin-2-yl]-1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-4-yl]ethanone (CID 147857111) is 2-[7-(5-fluoro-3-pyridinyl)quinazolin-2-yl]-1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-4-yl]ethanone.

What is the SMILES notation for 2-[7-(5-fluoro-3-pyridinyl)quinazolin-2-yl]-1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-4-yl]ethanone?

The canonical SMILES for 2-[7-(5-fluoro-3-pyridinyl)quinazolin-2-yl]-1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-4-yl]ethanone is CN1CCC(c2nc(C(=O)Cc3ncc4ccc(-c5cncc(F)c5)cc4n3)co2)CC1.

What is the InChIKey of 2-[7-(5-fluoro-3-pyridinyl)quinazolin-2-yl]-1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-4-yl]ethanone?

The InChIKey is HVYIBTHSIWERER-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O2/c1-30-6-4-15(5-7-30)24-29-21(14-32-24)22(31)10-23-27-12-17-3-2-16(9-20(17)28-23)18-8-19(25)13-26-11-18/h2-3,8-9,11-15H,4-7,10H2,1H3.

What are the key properties of 2-[7-(5-fluoro-3-pyridinyl)quinazolin-2-yl]-1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-4-yl]ethanone?

2-[7-(5-fluoro-3-pyridinyl)quinazolin-2-yl]-1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-4-yl]ethanone has a molecular weight of 431.47 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[7-(5-fluoro-3-pyridinyl)quinazolin-2-yl]-1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-4-yl]ethanone is sourced from PubChem (CID 147857111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).