2-(1,3-dioxoisoindol-2-yl)-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]acetamide

C25H20FN3O5S — CID 27567804

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C25H20FN3O5S/c26-17-7-10-19(11-8-17)35(33,34)29-13-3-4-16-14-18(9-12-22(16)29)27-23(30)15-28-24(31)20-5-1-2-6-21(20)25(28)32/h1-2,5-12,14H,3-4,13,15H2,(H,27,30)
InChIKeyDNNJGAOGCNLHBS-UHFFFAOYSA-N
MW493.52 g/mol
LogP3.20
Rot. Bonds5

About 2-(1,3-dioxoisoindol-2-yl)-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]acetamide

2-(1,3-dioxoisoindol-2-yl)-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]acetamide (PubChem CID 27567804) has the molecular formula C25H20FN3O5S and a molecular weight of 493.52 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]acetamide
PubChem CID27567804
Molecular FormulaC25H20FN3O5S
Molecular Weight493.52 g/mol
Exact Mass493.11
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C25H20FN3O5S/c26-17-7-10-19(11-8-17)35(33,34)29-13-3-4-16-14-18(9-12-22(16)29)27-23(30)15-28-24(31)20-5-1-2-6-21(20)25(28)32/h1-2,5-12,14H,3-4,13,15H2,(H,27,30)
InChIKeyDNNJGAOGCNLHBS-UHFFFAOYSA-N
XLogP3.20
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.52
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 7657751
N-(2,3-dihydro-1H-inden-5-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 2634511
N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-3-(trifluoromethyl)benzamide
CID 27545964
N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-3-phenylpropanamide
CID 18565145
N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-2-phenoxyacetamide
CID 18565135
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-chloro-2,2-dimethylpropanamide
CID 7657700
2-[[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]methyl]isoindole-1,3-dione
CID 1250744
2-(2-methoxyphenoxy)-N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 27443582
N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-4-propan-2-yloxybenzamide
CID 27532570
N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-1,3-benzodioxole-5-carboxamide
CID 27549201
2,6-difluoro-N-[1-(4-fluorophenyl)sulfonyl-2,3-dihydroindol-5-yl]benzamide
CID 122190171
2-[7-(azepan-1-ylsulfonyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]-N-(4-fluorophenyl)acetamide
CID 53122528

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]acetamide (CID 27567804) is 2-(1,3-dioxoisoindol-2-yl)-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]acetamide is O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]acetamide?
The InChIKey is DNNJGAOGCNLHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN3O5S/c26-17-7-10-19(11-8-17)35(33,34)29-13-3-4-16-14-18(9-12-22(16)29)27-23(30)15-28-24(31)20-5-1-2-6-21(20)25(28)32/h1-2,5-12,14H,3-4,13,15H2,(H,27,30).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]acetamide has a molecular weight of 493.52 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]acetamide is sourced from PubChem (CID 27567804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).