1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-[2-(1,3-thiazol-2-yl)propyl]urea

C16H17FN4O2S — CID 119034406

About 1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-[2-(1,3-thiazol-2-yl)propyl]urea

1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-[2-(1,3-thiazol-2-yl)propyl]urea (PubChem CID 119034406) has the molecular formula C16H17FN4O2S and a molecular weight of 348.40 g/mol. Its IUPAC name is 1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-[2-(1,3-thiazol-2-yl)propyl]urea.

Molecular Properties

• Compound Name: 1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-[2-(1,3-thiazol-2-yl)propyl]urea
• PubChem CID: 119034406
• Molecular Formula: C16H17FN4O2S
• Molecular Weight: 348.40 g/mol
• Exact Mass: 348.11
• IUPAC Name: 1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-[2-(1,3-thiazol-2-yl)propyl]urea
• SMILES: CC(CNC(=O)Nc1cc2c(cc1F)NC(=O)CC2)c1nccs1
• InChI: InChI=1S/C16H17FN4O2S/c1-9(15-18-4-5-24-15)8-19-16(23)21-13-6-10-2-3-14(22)20-12(10)7-11(13)17/h4-7,9H,2-3,8H2,1H3,(H,20,22)(H2,19,21,23)
• InChIKey: KYBSXKUSWDWWTA-UHFFFAOYSA-N
• XLogP: 3.09
• TPSA: 83.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	348.40
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-[2-(1,3-thiazol-2-yl)propyl]urea?

The IUPAC name of 1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-[2-(1,3-thiazol-2-yl)propyl]urea (CID 119034406) is 1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-[2-(1,3-thiazol-2-yl)propyl]urea.

What is the SMILES notation for 1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-[2-(1,3-thiazol-2-yl)propyl]urea?

The canonical SMILES for 1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-[2-(1,3-thiazol-2-yl)propyl]urea is CC(CNC(=O)Nc1cc2c(cc1F)NC(=O)CC2)c1nccs1.

What is the InChIKey of 1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-[2-(1,3-thiazol-2-yl)propyl]urea?

The InChIKey is KYBSXKUSWDWWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O2S/c1-9(15-18-4-5-24-15)8-19-16(23)21-13-6-10-2-3-14(22)20-12(10)7-11(13)17/h4-7,9H,2-3,8H2,1H3,(H,20,22)(H2,19,21,23).

What are the key properties of 1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-[2-(1,3-thiazol-2-yl)propyl]urea?

1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-[2-(1,3-thiazol-2-yl)propyl]urea has a molecular weight of 348.40 g/mol, XLogP of 3.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-[2-(1,3-thiazol-2-yl)propyl]urea is sourced from PubChem (CID 119034406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).