1-[2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetyl]-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide

C22H23FN4O3S2 — CID 26968009

IUPAC1-[2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetyl]-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)CSc1nccn1-c1cccc(F)c1
InChIInChI=1S/C22H23FN4O3S2/c1-25(2)32(29,30)19-8-9-20-16(13-19)5-4-11-27(20)21(28)15-31-22-24-10-12-26(22)18-7-3-6-17(23)14-18/h3,6-10,12-14H,4-5,11,15H2,1-2H3
InChIKeyZINDPRUWBMUSAT-UHFFFAOYSA-N
MW474.58 g/mol
LogP3.33
Rot. Bonds6

About 1-[2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetyl]-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide

1-[2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetyl]-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide (PubChem CID 26968009) has the molecular formula C22H23FN4O3S2 and a molecular weight of 474.58 g/mol. Its IUPAC name is 1-[2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetyl]-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide.

Molecular Properties

Compound Name1-[2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetyl]-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
PubChem CID26968009
Molecular FormulaC22H23FN4O3S2
Molecular Weight474.58 g/mol
Exact Mass474.12
IUPAC Name1-[2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetyl]-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)CSc1nccn1-c1cccc(F)c1
InChIInChI=1S/C22H23FN4O3S2/c1-25(2)32(29,30)19-8-9-20-16(13-19)5-4-11-27(20)21(28)15-31-22-24-10-12-26(22)18-7-3-6-17(23)14-18/h3,6-10,12-14H,4-5,11,15H2,1-2H3
InChIKeyZINDPRUWBMUSAT-UHFFFAOYSA-N
XLogP3.33
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.58
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetyl]-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-1-[2-(1-propan-2-yltetrazol-5-yl)sulfanylacetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 24528086
N,N-dimethyl-1-[2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 24527409
1-[2-[(2,4-difluorophenyl)methyl-methylamino]acetyl]-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 24664480
N,N-dimethyl-1-(2-phenoxyacetyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17442791
1-[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetyl]-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 26964087
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
methyl 3-[2-[6-(dimethylsulfamoyl)-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethoxy]benzoate
CID 55448230
3-[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]-N,N-dimethylbenzenesulfonamide
CID 2375827
1-[2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]acetyl]-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 31000690
2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(5-nitro-2,3-dihydroindol-1-yl)ethanone
CID 27190839
1-(cyclopentanecarbonyl)-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17446578
1-[2-[3-(diethylamino)pyrrolidin-1-yl]acetyl]-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 166216813

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetyl]-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide?
The IUPAC name of 1-[2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetyl]-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide (CID 26968009) is 1-[2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetyl]-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide.
What is the SMILES notation for 1-[2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetyl]-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide?
The canonical SMILES for 1-[2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetyl]-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide is CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)CSc1nccn1-c1cccc(F)c1.
What is the InChIKey of 1-[2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetyl]-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide?
The InChIKey is ZINDPRUWBMUSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O3S2/c1-25(2)32(29,30)19-8-9-20-16(13-19)5-4-11-27(20)21(28)15-31-22-24-10-12-26(22)18-7-3-6-17(23)14-18/h3,6-10,12-14H,4-5,11,15H2,1-2H3.
What are the key properties of 1-[2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetyl]-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide?
1-[2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetyl]-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide has a molecular weight of 474.58 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetyl]-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide is sourced from PubChem (CID 26968009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).