1-[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide

C23H25FN4O5S — CID 24528092

IUPAC1-[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)CN1C(=O)NC(C)(c2ccc(F)cc2)C1=O
InChIInChI=1S/C23H25FN4O5S/c1-23(16-6-8-17(24)9-7-16)21(30)28(22(31)25-23)14-20(29)27-12-4-5-15-13-18(10-11-19(15)27)34(32,33)26(2)3/h6-11,13H,4-5,12,14H2,1-3H3,(H,25,31)
InChIKeyAEDQCDGHZGJJBZ-UHFFFAOYSA-N
MW488.54 g/mol
LogP1.82
Rot. Bonds5

About 1-[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide

1-[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide (PubChem CID 24528092) has the molecular formula C23H25FN4O5S and a molecular weight of 488.54 g/mol. Its IUPAC name is 1-[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide.

Molecular Properties

Compound Name1-[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
PubChem CID24528092
Molecular FormulaC23H25FN4O5S
Molecular Weight488.54 g/mol
Exact Mass488.15
IUPAC Name1-[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)CN1C(=O)NC(C)(c2ccc(F)cc2)C1=O
InChIInChI=1S/C23H25FN4O5S/c1-23(16-6-8-17(24)9-7-16)21(30)28(22(31)25-23)14-20(29)27-12-4-5-15-13-18(10-11-19(15)27)34(32,33)26(2)3/h6-11,13H,4-5,12,14H2,1-3H3,(H,25,31)
InChIKeyAEDQCDGHZGJJBZ-UHFFFAOYSA-N
XLogP1.82
TPSA107.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.54
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

1-[2-[(2,4-difluorophenyl)methyl-methylamino]acetyl]-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 24664480
3-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione
CID 46669822
(5S)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 2126300
3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 112788597
3-[2-(azetidin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 51334274
5-(1,3-benzodioxol-5-yl)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 4884885
1-[2-[6-(dimethylsulfamoyl)-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 24561320
1-[2-[3-(diethylamino)pyrrolidin-1-yl]acetyl]-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 166216813
(5S)-5-(4-tert-butylphenyl)-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 2083997
N,N-dimethyl-1-(2-phenoxyacetyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17442791
1-[2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]acetyl]-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 31000690
1-[2-[(2-chloro-5-nitrophenyl)methyl-methylamino]acetyl]-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 24682263

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide?
The IUPAC name of 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) is 1-[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide.
What is the SMILES notation for 1-[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide?
The canonical SMILES for 1-[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide is CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)CN1C(=O)NC(C)(c2ccc(F)cc2)C1=O.
What is the InChIKey of 1-[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide?
The InChIKey is AEDQCDGHZGJJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O5S/c1-23(16-6-8-17(24)9-7-16)21(30)28(22(31)25-23)14-20(29)27-12-4-5-15-13-18(10-11-19(15)27)34(32,33)26(2)3/h6-11,13H,4-5,12,14H2,1-3H3,(H,25,31).
What are the key properties of 1-[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide?
1-[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide has a molecular weight of 488.54 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide is sourced from PubChem (CID 24528092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).