(6-bromo-8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(5-methylsulfonylfuran-2-yl)methanone

C15H13BrFNO4S — CID 86944569

IUPAC(6-bromo-8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(5-methylsulfonylfuran-2-yl)methanone
SMILESCS(=O)(=O)c1ccc(C(=O)N2CCCc3cc(Br)cc(F)c32)o1
InChIInChI=1S/C15H13BrFNO4S/c1-23(20,21)13-5-4-12(22-13)15(19)18-6-2-3-9-7-10(16)8-11(17)14(9)18/h4-5,7-8H,2-3,6H2,1H3
InChIKeyXEGIBYQNDMEWKI-UHFFFAOYSA-N
MW402.24 g/mol
LogP3.18
Rot. Bonds2

About (6-bromo-8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(5-methylsulfonylfuran-2-yl)methanone

(6-bromo-8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(5-methylsulfonylfuran-2-yl)methanone (PubChem CID 86944569) has the molecular formula C15H13BrFNO4S and a molecular weight of 402.24 g/mol. Its IUPAC name is (6-bromo-8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(5-methylsulfonylfuran-2-yl)methanone.

Molecular Properties

Compound Name(6-bromo-8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(5-methylsulfonylfuran-2-yl)methanone
PubChem CID86944569
Molecular FormulaC15H13BrFNO4S
Molecular Weight402.24 g/mol
Exact Mass400.97
IUPAC Name(6-bromo-8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(5-methylsulfonylfuran-2-yl)methanone
SMILESCS(=O)(=O)c1ccc(C(=O)N2CCCc3cc(Br)cc(F)c32)o1
InChIInChI=1S/C15H13BrFNO4S/c1-23(20,21)13-5-4-12(22-13)15(19)18-6-2-3-9-7-10(16)8-11(17)14(9)18/h4-5,7-8H,2-3,6H2,1H3
InChIKeyXEGIBYQNDMEWKI-UHFFFAOYSA-N
XLogP3.18
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.24
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (6-bromo-8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(5-methylsulfonylfuran-2-yl)methanone with MolForge

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Related Compounds

(6-bromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-(4-methylsulfonylphenyl)methanone
CID 86887149
(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-(5-piperidin-1-ylsulfonylfuran-2-yl)methanone
CID 55873184
(6-bromo-8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(7-chloro-1,3-benzodioxol-5-yl)methanone
CID 51131803
(5-morpholin-4-ylsulfonylfuran-2-yl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 46686951
4-[(6-bromo-8-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-5-methylthiophene-2-carboxamide
CID 86783705
(2R)-1-(6-chloro-8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-propan-2-ylsulfonylpropan-1-one
CID 95625279
(2,6-dichloro-4-pyridinyl)-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 87025666
N-tert-butyl-2-chloro-5-(8-fluoro-6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)benzenesulfonamide
CID 55768745
2-(4-bromo-2-fluorophenoxy)-1-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 55661300
(5-bromofuran-2-yl)-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110749680
2-(4-chlorophenyl)-1-[4-(5-methylsulfonylfuran-2-carbonyl)piperazin-1-yl]ethanone
CID 86944350
(5-bromo-2-fluorophenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 60704859

Frequently Asked Questions

What is the IUPAC name of (6-bromo-8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(5-methylsulfonylfuran-2-yl)methanone?
The IUPAC name of (6-bromo-8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(5-methylsulfonylfuran-2-yl)methanone (CID 86944569) is (6-bromo-8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(5-methylsulfonylfuran-2-yl)methanone.
What is the SMILES notation for (6-bromo-8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(5-methylsulfonylfuran-2-yl)methanone?
The canonical SMILES for (6-bromo-8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(5-methylsulfonylfuran-2-yl)methanone is CS(=O)(=O)c1ccc(C(=O)N2CCCc3cc(Br)cc(F)c32)o1.
What is the InChIKey of (6-bromo-8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(5-methylsulfonylfuran-2-yl)methanone?
The InChIKey is XEGIBYQNDMEWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO4S/c1-23(20,21)13-5-4-12(22-13)15(19)18-6-2-3-9-7-10(16)8-11(17)14(9)18/h4-5,7-8H,2-3,6H2,1H3.
What are the key properties of (6-bromo-8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(5-methylsulfonylfuran-2-yl)methanone?
(6-bromo-8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(5-methylsulfonylfuran-2-yl)methanone has a molecular weight of 402.24 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(5-methylsulfonylfuran-2-yl)methanone is sourced from PubChem (CID 86944569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).