N-[(1S)-1-(5-cyano-3-fluoro-2-pyridinyl)ethyl]-2-(5-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide

C18H15F2N5O2 — CID 177351352

About N-[(1S)-1-(5-cyano-3-fluoro-2-pyridinyl)ethyl]-2-(5-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide

N-[(1S)-1-(5-cyano-3-fluoro-2-pyridinyl)ethyl]-2-(5-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide (PubChem CID 177351352) has the molecular formula C18H15F2N5O2 and a molecular weight of 371.35 g/mol. Its IUPAC name is N-[(1S)-1-(5-cyano-3-fluoro-2-pyridinyl)ethyl]-2-(5-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide.

Molecular Properties

• Compound Name: N-[(1S)-1-(5-cyano-3-fluoro-2-pyridinyl)ethyl]-2-(5-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide
• PubChem CID: 177351352
• Molecular Formula: C18H15F2N5O2
• Molecular Weight: 371.35 g/mol
• Exact Mass: 371.12
• IUPAC Name: N-[(1S)-1-(5-cyano-3-fluoro-2-pyridinyl)ethyl]-2-(5-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide
• SMILES: C[C@H](NC(=O)CN1Cc2c(F)cccc2NC1=O)c1ncc(C#N)cc1F
• InChI: InChI=1S/C18H15F2N5O2/c1-10(17-14(20)5-11(6-21)7-22-17)23-16(26)9-25-8-12-13(19)3-2-4-15(12)24-18(25)27/h2-5,7,10H,8-9H2,1H3,(H,23,26)(H,24,27)/t10-/m0/s1
• InChIKey: ZNLFRAXNRAJSLK-JTQLQIEISA-N
• XLogP: 2.46
• TPSA: 98.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.35
LogP ≤ 5	2.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[(1S)-1-(5-cyano-3-fluoro-2-pyridinyl)ethyl]-2-(5-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide (CID 177351352) is N-[(1S)-1-(5-cyano-3-fluoro-2-pyridinyl)ethyl]-2-(5-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide.

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

The canonical SMILES for N-[(1S)-1-(5-cyano-3-fluoro-2-pyridinyl)ethyl]-2-(5-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide is C[C@H](NC(=O)CN1Cc2c(F)cccc2NC1=O)c1ncc(C#N)cc1F.

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

The InChIKey is ZNLFRAXNRAJSLK-JTQLQIEISA-N. The full InChI is InChI=1S/C18H15F2N5O2/c1-10(17-14(20)5-11(6-21)7-22-17)23-16(26)9-25-8-12-13(19)3-2-4-15(12)24-18(25)27/h2-5,7,10H,8-9H2,1H3,(H,23,26)(H,24,27)/t10-/m0/s1.

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

N-[(1S)-1-(5-cyano-3-fluoro-2-pyridinyl)ethyl]-2-(5-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide has a molecular weight of 371.35 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-(5-cyano-3-fluoro-2-pyridinyl)ethyl]-2-(5-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide is sourced from PubChem (CID 177351352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).