3-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea

C16H17FN4O3 — CID 99585749

About 3-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea

3-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea (PubChem CID 99585749) has the molecular formula C16H17FN4O3 and a molecular weight of 332.34 g/mol. Its IUPAC name is 3-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea.

Molecular Properties

• Compound Name: 3-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
• PubChem CID: 99585749
• Molecular Formula: C16H17FN4O3
• Molecular Weight: 332.34 g/mol
• Exact Mass: 332.13
• IUPAC Name: 3-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
• SMILES: Cc1cc(CN(C)C(=O)Nc2cc3c(cc2F)NC(=O)CC3)no1
• InChI: InChI=1S/C16H17FN4O3/c1-9-5-11(20-24-9)8-21(2)16(23)19-14-6-10-3-4-15(22)18-13(10)7-12(14)17/h5-7H,3-4,8H2,1-2H3,(H,18,22)(H,19,23)
• InChIKey: PKGPCDBWSKYNHA-UHFFFAOYSA-N
• XLogP: 2.67
• TPSA: 87.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	332.34
LogP ≤ 5	2.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?

The IUPAC name of 3-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea (CID 99585749) is 3-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea.

What is the SMILES notation for 3-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?

The canonical SMILES for 3-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea is Cc1cc(CN(C)C(=O)Nc2cc3c(cc2F)NC(=O)CC3)no1.

What is the InChIKey of 3-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?

The InChIKey is PKGPCDBWSKYNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O3/c1-9-5-11(20-24-9)8-21(2)16(23)19-14-6-10-3-4-15(22)18-13(10)7-12(14)17/h5-7H,3-4,8H2,1-2H3,(H,18,22)(H,19,23).

What are the key properties of 3-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?

3-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea has a molecular weight of 332.34 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea is sourced from PubChem (CID 99585749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).