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

C23H25FN4O3 — CID 16613524

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

N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 16613524) has the molecular formula C23H25FN4O3 and a molecular weight of 424.48 g/mol. Its IUPAC name is N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

• Compound Name: N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
• PubChem CID: 16613524
• Molecular Formula: C23H25FN4O3
• Molecular Weight: 424.48 g/mol
• Exact Mass: 424.19
• IUPAC Name: N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
• SMILES: O=C(CN1CCC(NC(=O)C2CC(=O)Nc3cc(F)ccc32)CC1)Nc1ccccc1
• InChI: InChI=1S/C23H25FN4O3/c24-15-6-7-18-19(13-21(29)27-20(18)12-15)23(31)26-17-8-10-28(11-9-17)14-22(30)25-16-4-2-1-3-5-16/h1-7,12,17,19H,8-11,13-14H2,(H,25,30)(H,26,31)(H,27,29)
• InChIKey: IANVPRJOTQHLSS-UHFFFAOYSA-N
• XLogP: 2.47
• TPSA: 90.54 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.48
LogP ≤ 5	2.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 16613524) is N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

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

The canonical SMILES for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is O=C(CN1CCC(NC(=O)C2CC(=O)Nc3cc(F)ccc32)CC1)Nc1ccccc1.

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

The InChIKey is IANVPRJOTQHLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O3/c24-15-6-7-18-19(13-21(29)27-20(18)12-15)23(31)26-17-8-10-28(11-9-17)14-22(30)25-16-4-2-1-3-5-16/h1-7,12,17,19H,8-11,13-14H2,(H,25,30)(H,26,31)(H,27,29).

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

N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 424.48 g/mol, XLogP of 2.47, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 16613524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).