7-fluoro-2-oxo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinoline-4-carboxamide

C22H21F4N3O2 — CID 24606225

About 7-fluoro-2-oxo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinoline-4-carboxamide

7-fluoro-2-oxo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 24606225) has the molecular formula C22H21F4N3O2 and a molecular weight of 435.42 g/mol. Its IUPAC name is 7-fluoro-2-oxo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

• Compound Name: 7-fluoro-2-oxo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinoline-4-carboxamide
• PubChem CID: 24606225
• Molecular Formula: C22H21F4N3O2
• Molecular Weight: 435.42 g/mol
• Exact Mass: 435.16
• IUPAC Name: 7-fluoro-2-oxo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinoline-4-carboxamide
• SMILES: O=C1CC(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)c2ccc(F)cc2N1
• InChI: InChI=1S/C22H21F4N3O2/c23-14-5-6-15-16(12-20(30)27-17(15)11-14)21(31)28-18-10-13(22(24,25)26)4-7-19(18)29-8-2-1-3-9-29/h4-7,10-11,16H,1-3,8-9,12H2,(H,27,30)(H,28,31)
• InChIKey: VSBPZVWIMISGTE-UHFFFAOYSA-N
• XLogP: 4.90
• TPSA: 61.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.42
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-oxo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinoline-4-carboxamide?

The IUPAC name of 7-fluoro-2-oxo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinoline-4-carboxamide (CID 24606225) is 7-fluoro-2-oxo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinoline-4-carboxamide.

What is the SMILES notation for 7-fluoro-2-oxo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinoline-4-carboxamide?

The canonical SMILES for 7-fluoro-2-oxo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinoline-4-carboxamide is O=C1CC(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)c2ccc(F)cc2N1.

What is the InChIKey of 7-fluoro-2-oxo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinoline-4-carboxamide?

The InChIKey is VSBPZVWIMISGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F4N3O2/c23-14-5-6-15-16(12-20(30)27-17(15)11-14)21(31)28-18-10-13(22(24,25)26)4-7-19(18)29-8-2-1-3-9-29/h4-7,10-11,16H,1-3,8-9,12H2,(H,27,30)(H,28,31).

What are the key properties of 7-fluoro-2-oxo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinoline-4-carboxamide?

7-fluoro-2-oxo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 435.42 g/mol, XLogP of 4.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 7-fluoro-2-oxo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 24606225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).