1-[2-[(2,4-difluorophenyl)methyl-methylamino]acetyl]-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide

C21H25F2N3O3S — CID 24664480

IUPAC1-[2-[(2,4-difluorophenyl)methyl-methylamino]acetyl]-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCN(CC(=O)N1CCCc2cc(S(=O)(=O)N(C)C)ccc21)Cc1ccc(F)cc1F
InChIInChI=1S/C21H25F2N3O3S/c1-24(2)30(28,29)18-8-9-20-15(11-18)5-4-10-26(20)21(27)14-25(3)13-16-6-7-17(22)12-19(16)23/h6-9,11-12H,4-5,10,13-14H2,1-3H3
InChIKeyKNIGMDUNGGZIHG-UHFFFAOYSA-N
MW437.51 g/mol
LogP2.63
Rot. Bonds6

About 1-[2-[(2,4-difluorophenyl)methyl-methylamino]acetyl]-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide

1-[2-[(2,4-difluorophenyl)methyl-methylamino]acetyl]-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide (PubChem CID 24664480) has the molecular formula C21H25F2N3O3S and a molecular weight of 437.51 g/mol. Its IUPAC name is 1-[2-[(2,4-difluorophenyl)methyl-methylamino]acetyl]-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide.

Molecular Properties

Compound Name1-[2-[(2,4-difluorophenyl)methyl-methylamino]acetyl]-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
PubChem CID24664480
Molecular FormulaC21H25F2N3O3S
Molecular Weight437.51 g/mol
Exact Mass437.16
IUPAC Name1-[2-[(2,4-difluorophenyl)methyl-methylamino]acetyl]-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCN(CC(=O)N1CCCc2cc(S(=O)(=O)N(C)C)ccc21)Cc1ccc(F)cc1F
InChIInChI=1S/C21H25F2N3O3S/c1-24(2)30(28,29)18-8-9-20-15(11-18)5-4-10-26(20)21(27)14-25(3)13-16-6-7-17(22)12-19(16)23/h6-9,11-12H,4-5,10,13-14H2,1-3H3
InChIKeyKNIGMDUNGGZIHG-UHFFFAOYSA-N
XLogP2.63
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.51
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(2-chloro-5-nitrophenyl)methyl-methylamino]acetyl]-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 24682263
1-[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 24528092
N,N-dimethyl-1-(2-phenoxyacetyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17442791
1-(cyclopentanecarbonyl)-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17446578
1-[2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 43898779
1-[2-[6-(dimethylsulfamoyl)-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 24561320
1-[2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetyl]-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 26968009
1-[2-[3-(diethylamino)pyrrolidin-1-yl]acetyl]-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 166216813
1-[2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 43900934
N,N-dimethyl-1-[2-(1-propan-2-yltetrazol-5-yl)sulfanylacetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 24528086
(3S)-2-[2-[6-(dimethylsulfamoyl)-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 24561110
2-[(2,4-difluorophenyl)methyl-methylamino]-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 24664399

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,4-difluorophenyl)methyl-methylamino]acetyl]-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide?
The IUPAC name of 1-[2-[(2,4-difluorophenyl)methyl-methylamino]acetyl]-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide (CID 24664480) is 1-[2-[(2,4-difluorophenyl)methyl-methylamino]acetyl]-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide.
What is the SMILES notation for 1-[2-[(2,4-difluorophenyl)methyl-methylamino]acetyl]-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide?
The canonical SMILES for 1-[2-[(2,4-difluorophenyl)methyl-methylamino]acetyl]-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide is CN(CC(=O)N1CCCc2cc(S(=O)(=O)N(C)C)ccc21)Cc1ccc(F)cc1F.
What is the InChIKey of 1-[2-[(2,4-difluorophenyl)methyl-methylamino]acetyl]-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide?
The InChIKey is KNIGMDUNGGZIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2N3O3S/c1-24(2)30(28,29)18-8-9-20-15(11-18)5-4-10-26(20)21(27)14-25(3)13-16-6-7-17(22)12-19(16)23/h6-9,11-12H,4-5,10,13-14H2,1-3H3.
What are the key properties of 1-[2-[(2,4-difluorophenyl)methyl-methylamino]acetyl]-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide?
1-[2-[(2,4-difluorophenyl)methyl-methylamino]acetyl]-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide has a molecular weight of 437.51 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,4-difluorophenyl)methyl-methylamino]acetyl]-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide is sourced from PubChem (CID 24664480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).