N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide

C21H26FN3O3S — CID 55871143

About N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide

N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (PubChem CID 55871143) has the molecular formula C21H26FN3O3S and a molecular weight of 419.52 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.

Molecular Properties

• Compound Name: N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
• PubChem CID: 55871143
• Molecular Formula: C21H26FN3O3S
• Molecular Weight: 419.52 g/mol
• Exact Mass: 419.17
• IUPAC Name: N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
• SMILES: CCc1ccc(C(CNS(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)N(C)C)cc1
• InChI: InChI=1S/C21H26FN3O3S/c1-4-14-5-7-15(8-6-14)19(25(2)3)13-23-29(27,28)20-11-16-9-10-21(26)24-18(16)12-17(20)22/h5-8,11-12,19,23H,4,9-10,13H2,1-3H3,(H,24,26)
• InChIKey: QZMCDONDTWFQNB-UHFFFAOYSA-N
• XLogP: 2.85
• TPSA: 78.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.52
LogP ≤ 5	2.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?

The IUPAC name of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (CID 55871143) is N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.

What is the SMILES notation for N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?

The canonical SMILES for N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is CCc1ccc(C(CNS(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)N(C)C)cc1.

What is the InChIKey of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?

The InChIKey is QZMCDONDTWFQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O3S/c1-4-14-5-7-15(8-6-14)19(25(2)3)13-23-29(27,28)20-11-16-9-10-21(26)24-18(16)12-17(20)22/h5-8,11-12,19,23H,4,9-10,13H2,1-3H3,(H,24,26).

What are the key properties of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?

N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide has a molecular weight of 419.52 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 55871143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).