1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-[(2R)-1-piperidin-1-ylpropan-2-yl]urea

C18H25FN4O2 — CID 99585473

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

1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-[(2R)-1-piperidin-1-ylpropan-2-yl]urea (PubChem CID 99585473) has the molecular formula C18H25FN4O2 and a molecular weight of 348.42 g/mol. Its IUPAC name is 1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-[(2R)-1-piperidin-1-ylpropan-2-yl]urea.

Molecular Properties

• Compound Name: 1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-[(2R)-1-piperidin-1-ylpropan-2-yl]urea
• PubChem CID: 99585473
• Molecular Formula: C18H25FN4O2
• Molecular Weight: 348.42 g/mol
• Exact Mass: 348.20
• IUPAC Name: 1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-[(2R)-1-piperidin-1-ylpropan-2-yl]urea
• SMILES: C[C@H](CN1CCCCC1)NC(=O)Nc1cc2c(cc1F)NC(=O)CC2
• InChI: InChI=1S/C18H25FN4O2/c1-12(11-23-7-3-2-4-8-23)20-18(25)22-16-9-13-5-6-17(24)21-15(13)10-14(16)19/h9-10,12H,2-8,11H2,1H3,(H,21,24)(H2,20,22,25)/t12-/m1/s1
• InChIKey: OCEBEGWGCMYOCL-GFCCVEGCSA-N
• XLogP: 2.71
• TPSA: 73.47 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	348.42
LogP ≤ 5	2.71
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-[(2R)-1-piperidin-1-ylpropan-2-yl]urea (CID 99585473) is 1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-[(2R)-1-piperidin-1-ylpropan-2-yl]urea.

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

The canonical SMILES for 1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-[(2R)-1-piperidin-1-ylpropan-2-yl]urea is C[C@H](CN1CCCCC1)NC(=O)Nc1cc2c(cc1F)NC(=O)CC2.

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

The InChIKey is OCEBEGWGCMYOCL-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H25FN4O2/c1-12(11-23-7-3-2-4-8-23)20-18(25)22-16-9-13-5-6-17(24)21-15(13)10-14(16)19/h9-10,12H,2-8,11H2,1H3,(H,21,24)(H2,20,22,25)/t12-/m1/s1.

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

1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-[(2R)-1-piperidin-1-ylpropan-2-yl]urea has a molecular weight of 348.42 g/mol, XLogP of 2.71, 4 rotatable bonds, 3 hydrogen bond donors, and 3 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-[(2R)-1-piperidin-1-ylpropan-2-yl]urea is sourced from PubChem (CID 99585473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).