N-[3-methyl-1-oxo-1-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]butan-2-yl]furan-2-carboxamide

C20H21F3N2O4 — CID 55671808

About N-[3-methyl-1-oxo-1-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]butan-2-yl]furan-2-carboxamide

N-[3-methyl-1-oxo-1-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]butan-2-yl]furan-2-carboxamide (PubChem CID 55671808) has the molecular formula C20H21F3N2O4 and a molecular weight of 410.39 g/mol. Its IUPAC name is N-[3-methyl-1-oxo-1-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]butan-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-methyl-1-oxo-1-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]butan-2-yl]furan-2-carboxamide
• PubChem CID: 55671808
• Molecular Formula: C20H21F3N2O4
• Molecular Weight: 410.39 g/mol
• Exact Mass: 410.15
• IUPAC Name: N-[3-methyl-1-oxo-1-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]butan-2-yl]furan-2-carboxamide
• SMILES: CC(C)C(NC(=O)c1ccco1)C(=O)N1CCCc2cc(OC(F)(F)F)ccc21
• InChI: InChI=1S/C20H21F3N2O4/c1-12(2)17(24-18(26)16-6-4-10-28-16)19(27)25-9-3-5-13-11-14(7-8-15(13)25)29-20(21,22)23/h4,6-8,10-12,17H,3,5,9H2,1-2H3,(H,24,26)
• InChIKey: QSGZTXLLGSAHAH-UHFFFAOYSA-N
• XLogP: 3.91
• TPSA: 71.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.39
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-oxo-1-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]butan-2-yl]furan-2-carboxamide?

The IUPAC name of N-[3-methyl-1-oxo-1-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]butan-2-yl]furan-2-carboxamide (CID 55671808) is N-[3-methyl-1-oxo-1-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]butan-2-yl]furan-2-carboxamide.

What is the SMILES notation for N-[3-methyl-1-oxo-1-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]butan-2-yl]furan-2-carboxamide?

The canonical SMILES for N-[3-methyl-1-oxo-1-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]butan-2-yl]furan-2-carboxamide is CC(C)C(NC(=O)c1ccco1)C(=O)N1CCCc2cc(OC(F)(F)F)ccc21.

What is the InChIKey of N-[3-methyl-1-oxo-1-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]butan-2-yl]furan-2-carboxamide?

The InChIKey is QSGZTXLLGSAHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O4/c1-12(2)17(24-18(26)16-6-4-10-28-16)19(27)25-9-3-5-13-11-14(7-8-15(13)25)29-20(21,22)23/h4,6-8,10-12,17H,3,5,9H2,1-2H3,(H,24,26).

What are the key properties of N-[3-methyl-1-oxo-1-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]butan-2-yl]furan-2-carboxamide?

N-[3-methyl-1-oxo-1-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]butan-2-yl]furan-2-carboxamide has a molecular weight of 410.39 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-methyl-1-oxo-1-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]butan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 55671808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).