1-methyl-3-[2-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione

C21H27N3O5S — CID 55661386

IUPAC1-methyl-3-[2-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCN1C(=O)N(CC(=O)N2CCCc3cc(S(C)(=O)=O)ccc32)C(=O)C12CCCCC2
InChIInChI=1S/C21H27N3O5S/c1-22-20(27)24(19(26)21(22)10-4-3-5-11-21)14-18(25)23-12-6-7-15-13-16(30(2,28)29)8-9-17(15)23/h8-9,13H,3-7,10-12,14H2,1-2H3
InChIKeyZTOKDGYGLNUESU-UHFFFAOYSA-N
MW433.53 g/mol
LogP1.97
Rot. Bonds3

About 1-methyl-3-[2-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione

1-methyl-3-[2-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 55661386) has the molecular formula C21H27N3O5S and a molecular weight of 433.53 g/mol. Its IUPAC name is 1-methyl-3-[2-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name1-methyl-3-[2-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID55661386
Molecular FormulaC21H27N3O5S
Molecular Weight433.53 g/mol
Exact Mass433.17
IUPAC Name1-methyl-3-[2-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCN1C(=O)N(CC(=O)N2CCCc3cc(S(C)(=O)=O)ccc32)C(=O)C12CCCCC2
InChIInChI=1S/C21H27N3O5S/c1-22-20(27)24(19(26)21(22)10-4-3-5-11-21)14-18(25)23-12-6-7-15-13-16(30(2,28)29)8-9-17(15)23/h8-9,13H,3-7,10-12,14H2,1-2H3
InChIKeyZTOKDGYGLNUESU-UHFFFAOYSA-N
XLogP1.97
TPSA95.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]isoindole-1,3-dione
CID 55661378
1-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-2-(3-nitropyrazol-1-yl)ethanone
CID 55874082
2-[2-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-nitroisoindole-1,3-dione
CID 55661110
3-(3,4-difluorophenyl)-1-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 55872667
2-(2,5-dichlorophenyl)sulfanyl-1-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 55873557
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
1-methyl-6-methylsulfonyl-3,4-dihydro-2H-quinoline
CID 118445980
2-(4-bromo-2-fluorophenoxy)-1-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 55661300
1-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7494626
2-(2-tert-butylphenoxy)-1-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 55661331
N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 38749385
(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-(3-piperidin-1-ylsulfonylphenyl)methanone
CID 55661488

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 1-methyl-3-[2-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 55661386) is 1-methyl-3-[2-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 1-methyl-3-[2-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 1-methyl-3-[2-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione is CN1C(=O)N(CC(=O)N2CCCc3cc(S(C)(=O)=O)ccc32)C(=O)C12CCCCC2.
What is the InChIKey of 1-methyl-3-[2-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is ZTOKDGYGLNUESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O5S/c1-22-20(27)24(19(26)21(22)10-4-3-5-11-21)14-18(25)23-12-6-7-15-13-16(30(2,28)29)8-9-17(15)23/h8-9,13H,3-7,10-12,14H2,1-2H3.
What are the key properties of 1-methyl-3-[2-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
1-methyl-3-[2-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 433.53 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 55661386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).