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

C20H16F2N4O2 — CID 146127538

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

7-fluoro-N-[4-fluoro-2-(1-methylpyrazol-4-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 146127538) has the molecular formula C20H16F2N4O2 and a molecular weight of 382.37 g/mol. Its IUPAC name is 7-fluoro-N-[4-fluoro-2-(1-methylpyrazol-4-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

• Compound Name: 7-fluoro-N-[4-fluoro-2-(1-methylpyrazol-4-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
• PubChem CID: 146127538
• Molecular Formula: C20H16F2N4O2
• Molecular Weight: 382.37 g/mol
• Exact Mass: 382.12
• IUPAC Name: 7-fluoro-N-[4-fluoro-2-(1-methylpyrazol-4-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
• SMILES: Cn1cc(-c2cc(F)ccc2NC(=O)C2CC(=O)Nc3cc(F)ccc32)cn1
• InChI: InChI=1S/C20H16F2N4O2/c1-26-10-11(9-23-26)15-6-12(21)3-5-17(15)25-20(28)16-8-19(27)24-18-7-13(22)2-4-14(16)18/h2-7,9-10,16H,8H2,1H3,(H,24,27)(H,25,28)
• InChIKey: VVXLUYMIJSFANQ-UHFFFAOYSA-N
• XLogP: 3.43
• TPSA: 76.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.37
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 7-fluoro-N-[4-fluoro-2-(1-methylpyrazol-4-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 146127538) is 7-fluoro-N-[4-fluoro-2-(1-methylpyrazol-4-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

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

The canonical SMILES for 7-fluoro-N-[4-fluoro-2-(1-methylpyrazol-4-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is Cn1cc(-c2cc(F)ccc2NC(=O)C2CC(=O)Nc3cc(F)ccc32)cn1.

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

The InChIKey is VVXLUYMIJSFANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N4O2/c1-26-10-11(9-23-26)15-6-12(21)3-5-17(15)25-20(28)16-8-19(27)24-18-7-13(22)2-4-14(16)18/h2-7,9-10,16H,8H2,1H3,(H,24,27)(H,25,28).

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

7-fluoro-N-[4-fluoro-2-(1-methylpyrazol-4-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 382.37 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-fluoro-N-[4-fluoro-2-(1-methylpyrazol-4-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 146127538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).