(5-morpholin-4-ylsulfonylfuran-2-yl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone

C19H19F3N2O5S — CID 46686951

IUPAC(5-morpholin-4-ylsulfonylfuran-2-yl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
SMILESO=C(c1ccc(S(=O)(=O)N2CCOCC2)o1)N1CCCc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C19H19F3N2O5S/c20-19(21,22)14-3-4-15-13(12-14)2-1-7-24(15)18(25)16-5-6-17(29-16)30(26,27)23-8-10-28-11-9-23/h3-6,12H,1-2,7-11H2
InChIKeyUKQQCTQJEBSLHU-UHFFFAOYSA-N
MW444.43 g/mol
LogP2.91
Rot. Bonds3

About (5-morpholin-4-ylsulfonylfuran-2-yl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone

(5-morpholin-4-ylsulfonylfuran-2-yl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone (PubChem CID 46686951) has the molecular formula C19H19F3N2O5S and a molecular weight of 444.43 g/mol. Its IUPAC name is (5-morpholin-4-ylsulfonylfuran-2-yl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone.

Molecular Properties

Compound Name(5-morpholin-4-ylsulfonylfuran-2-yl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
PubChem CID46686951
Molecular FormulaC19H19F3N2O5S
Molecular Weight444.43 g/mol
Exact Mass444.10
IUPAC Name(5-morpholin-4-ylsulfonylfuran-2-yl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
SMILESO=C(c1ccc(S(=O)(=O)N2CCOCC2)o1)N1CCCc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C19H19F3N2O5S/c20-19(21,22)14-3-4-15-13(12-14)2-1-7-24(15)18(25)16-5-6-17(29-16)30(26,27)23-8-10-28-11-9-23/h3-6,12H,1-2,7-11H2
InChIKeyUKQQCTQJEBSLHU-UHFFFAOYSA-N
XLogP2.91
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.43
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5-morpholin-4-ylsulfonylfuran-2-yl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone with MolForge

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Related Compounds

(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-(5-piperidin-1-ylsulfonylfuran-2-yl)methanone
CID 55873184
oxan-4-yl-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 52572016
1-benzofuran-2-yl-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 31841014
(4-fluorophenyl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 31839765
1-[[4-[6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]methyl]pyrrolidine-2,5-dione
CID 31843433
(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 55661323
(5-chlorothiophen-2-yl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 31840933
thiophen-3-yl-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 31843246
[1-[(2-chloro-3-pyridinyl)sulfonyl]piperidin-4-yl]-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 31845377
N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 171357293
3,4-dihydro-2H-quinolin-1-yl-(2-fluoro-5-morpholin-4-ylsulfonylphenyl)methanone
CID 2352857
4-[3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]sulfonylpiperazin-2-one
CID 31845700

Frequently Asked Questions

What is the IUPAC name of (5-morpholin-4-ylsulfonylfuran-2-yl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
The IUPAC name of (5-morpholin-4-ylsulfonylfuran-2-yl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone (CID 46686951) is (5-morpholin-4-ylsulfonylfuran-2-yl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone.
What is the SMILES notation for (5-morpholin-4-ylsulfonylfuran-2-yl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
The canonical SMILES for (5-morpholin-4-ylsulfonylfuran-2-yl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone is O=C(c1ccc(S(=O)(=O)N2CCOCC2)o1)N1CCCc2cc(C(F)(F)F)ccc21.
What is the InChIKey of (5-morpholin-4-ylsulfonylfuran-2-yl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
The InChIKey is UKQQCTQJEBSLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O5S/c20-19(21,22)14-3-4-15-13(12-14)2-1-7-24(15)18(25)16-5-6-17(29-16)30(26,27)23-8-10-28-11-9-23/h3-6,12H,1-2,7-11H2.
What are the key properties of (5-morpholin-4-ylsulfonylfuran-2-yl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
(5-morpholin-4-ylsulfonylfuran-2-yl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone has a molecular weight of 444.43 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-morpholin-4-ylsulfonylfuran-2-yl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone is sourced from PubChem (CID 46686951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).