2-(5,6-difluoro-2-oxo-1,4-dihydroquinazolin-3-yl)-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]acetamide

C17H14F4N4O2 — CID 171497423

About 2-(5,6-difluoro-2-oxo-1,4-dihydroquinazolin-3-yl)-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]acetamide

2-(5,6-difluoro-2-oxo-1,4-dihydroquinazolin-3-yl)-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]acetamide (PubChem CID 171497423) has the molecular formula C17H14F4N4O2 and a molecular weight of 382.32 g/mol. Its IUPAC name is 2-(5,6-difluoro-2-oxo-1,4-dihydroquinazolin-3-yl)-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]acetamide.

Molecular Properties

• Compound Name: 2-(5,6-difluoro-2-oxo-1,4-dihydroquinazolin-3-yl)-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]acetamide
• PubChem CID: 171497423
• Molecular Formula: C17H14F4N4O2
• Molecular Weight: 382.32 g/mol
• Exact Mass: 382.11
• IUPAC Name: 2-(5,6-difluoro-2-oxo-1,4-dihydroquinazolin-3-yl)-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]acetamide
• SMILES: CC(NC(=O)CN1Cc2c(ccc(F)c2F)NC1=O)c1ncc(F)cc1F
• InChI: InChI=1S/C17H14F4N4O2/c1-8(16-12(20)4-9(18)5-22-16)23-14(26)7-25-6-10-13(24-17(25)27)3-2-11(19)15(10)21/h2-5,8H,6-7H2,1H3,(H,23,26)(H,24,27)
• InChIKey: ZDNXAELXSNDUMY-UHFFFAOYSA-N
• XLogP: 2.86
• TPSA: 74.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.32
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-difluoro-2-oxo-1,4-dihydroquinazolin-3-yl)-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]acetamide?

The IUPAC name of 2-(5,6-difluoro-2-oxo-1,4-dihydroquinazolin-3-yl)-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]acetamide (CID 171497423) is 2-(5,6-difluoro-2-oxo-1,4-dihydroquinazolin-3-yl)-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]acetamide.

What is the SMILES notation for 2-(5,6-difluoro-2-oxo-1,4-dihydroquinazolin-3-yl)-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]acetamide?

The canonical SMILES for 2-(5,6-difluoro-2-oxo-1,4-dihydroquinazolin-3-yl)-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]acetamide is CC(NC(=O)CN1Cc2c(ccc(F)c2F)NC1=O)c1ncc(F)cc1F.

What is the InChIKey of 2-(5,6-difluoro-2-oxo-1,4-dihydroquinazolin-3-yl)-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]acetamide?

The InChIKey is ZDNXAELXSNDUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F4N4O2/c1-8(16-12(20)4-9(18)5-22-16)23-14(26)7-25-6-10-13(24-17(25)27)3-2-11(19)15(10)21/h2-5,8H,6-7H2,1H3,(H,23,26)(H,24,27).

What are the key properties of 2-(5,6-difluoro-2-oxo-1,4-dihydroquinazolin-3-yl)-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]acetamide?

2-(5,6-difluoro-2-oxo-1,4-dihydroquinazolin-3-yl)-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]acetamide has a molecular weight of 382.32 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5,6-difluoro-2-oxo-1,4-dihydroquinazolin-3-yl)-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]acetamide is sourced from PubChem (CID 171497423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).