1-[3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]piperidine-3-carboxylic acid

C18H21FN2O4 — CID 119033231

About 1-[3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]piperidine-3-carboxylic acid

1-[3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]piperidine-3-carboxylic acid (PubChem CID 119033231) has the molecular formula C18H21FN2O4 and a molecular weight of 348.37 g/mol. Its IUPAC name is 1-[3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]piperidine-3-carboxylic acid.

Molecular Properties

• Compound Name: 1-[3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]piperidine-3-carboxylic acid
• PubChem CID: 119033231
• Molecular Formula: C18H21FN2O4
• Molecular Weight: 348.37 g/mol
• Exact Mass: 348.15
• IUPAC Name: 1-[3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]piperidine-3-carboxylic acid
• SMILES: O=C(O)C1CCCN(C(=O)CCN2C(=O)CCc3cc(F)ccc32)C1
• InChI: InChI=1S/C18H21FN2O4/c19-14-4-5-15-12(10-14)3-6-17(23)21(15)9-7-16(22)20-8-1-2-13(11-20)18(24)25/h4-5,10,13H,1-3,6-9,11H2,(H,24,25)
• InChIKey: AYYGHYDZPVAGIT-UHFFFAOYSA-N
• XLogP: 1.82
• TPSA: 77.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	348.37
LogP ≤ 5	1.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]piperidine-3-carboxylic acid?

The IUPAC name of 1-[3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]piperidine-3-carboxylic acid (CID 119033231) is 1-[3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]piperidine-3-carboxylic acid.

What is the SMILES notation for 1-[3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]piperidine-3-carboxylic acid?

The canonical SMILES for 1-[3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)CCN2C(=O)CCc3cc(F)ccc32)C1.

What is the InChIKey of 1-[3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]piperidine-3-carboxylic acid?

The InChIKey is AYYGHYDZPVAGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O4/c19-14-4-5-15-12(10-14)3-6-17(23)21(15)9-7-16(22)20-8-1-2-13(11-20)18(24)25/h4-5,10,13H,1-3,6-9,11H2,(H,24,25).

What are the key properties of 1-[3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]piperidine-3-carboxylic acid?

1-[3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]piperidine-3-carboxylic acid has a molecular weight of 348.37 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 119033231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).