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

C18H16FN3O3 — CID 86929203

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

N-[2-(2-amino-2-oxoethyl)phenyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 86929203) has the molecular formula C18H16FN3O3 and a molecular weight of 341.34 g/mol. Its IUPAC name is N-[2-(2-amino-2-oxoethyl)phenyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-(2-amino-2-oxoethyl)phenyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
• PubChem CID: 86929203
• Molecular Formula: C18H16FN3O3
• Molecular Weight: 341.34 g/mol
• Exact Mass: 341.12
• IUPAC Name: N-[2-(2-amino-2-oxoethyl)phenyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
• SMILES: NC(=O)Cc1ccccc1NC(=O)C1CC(=O)Nc2cc(F)ccc21
• InChI: InChI=1S/C18H16FN3O3/c19-11-5-6-12-13(9-17(24)21-15(12)8-11)18(25)22-14-4-2-1-3-10(14)7-16(20)23/h1-6,8,13H,7,9H2,(H2,20,23)(H,21,24)(H,22,25)
• InChIKey: GFQWCGIENHXNJD-UHFFFAOYSA-N
• XLogP: 1.92
• TPSA: 101.29 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	341.34
LogP ≤ 5	1.92
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-[2-(2-amino-2-oxoethyl)phenyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 86929203) is N-[2-(2-amino-2-oxoethyl)phenyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

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

The canonical SMILES for N-[2-(2-amino-2-oxoethyl)phenyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is NC(=O)Cc1ccccc1NC(=O)C1CC(=O)Nc2cc(F)ccc21.

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

The InChIKey is GFQWCGIENHXNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3/c19-11-5-6-12-13(9-17(24)21-15(12)8-11)18(25)22-14-4-2-1-3-10(14)7-16(20)23/h1-6,8,13H,7,9H2,(H2,20,23)(H,21,24)(H,22,25).

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

N-[2-(2-amino-2-oxoethyl)phenyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 341.34 g/mol, XLogP of 1.92, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2-amino-2-oxoethyl)phenyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 86929203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).