7-(3-methyl-2-oxoimidazolidin-1-yl)-4-(4-methylsulfonylphenyl)-3,4-dihydro-1H-quinolin-2-one

C20H21N3O4S — CID 169414401

IUPAC7-(3-methyl-2-oxoimidazolidin-1-yl)-4-(4-methylsulfonylphenyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCN1CCN(c2ccc3c(c2)NC(=O)CC3c2ccc(S(C)(=O)=O)cc2)C1=O
InChIInChI=1S/C20H21N3O4S/c1-22-9-10-23(20(22)25)14-5-8-16-17(12-19(24)21-18(16)11-14)13-3-6-15(7-4-13)28(2,26)27/h3-8,11,17H,9-10,12H2,1-2H3,(H,21,24)
InChIKeyIKWIYIZHMXHLQM-UHFFFAOYSA-N
MW399.47 g/mol
LogP2.44
Rot. Bonds3

About 7-(3-methyl-2-oxoimidazolidin-1-yl)-4-(4-methylsulfonylphenyl)-3,4-dihydro-1H-quinolin-2-one

7-(3-methyl-2-oxoimidazolidin-1-yl)-4-(4-methylsulfonylphenyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 169414401) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is 7-(3-methyl-2-oxoimidazolidin-1-yl)-4-(4-methylsulfonylphenyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-(3-methyl-2-oxoimidazolidin-1-yl)-4-(4-methylsulfonylphenyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID169414401
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC Name7-(3-methyl-2-oxoimidazolidin-1-yl)-4-(4-methylsulfonylphenyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCN1CCN(c2ccc3c(c2)NC(=O)CC3c2ccc(S(C)(=O)=O)cc2)C1=O
InChIInChI=1S/C20H21N3O4S/c1-22-9-10-23(20(22)25)14-5-8-16-17(12-19(24)21-18(16)11-14)13-3-6-15(7-4-13)28(2,26)27/h3-8,11,17H,9-10,12H2,1-2H3,(H,21,24)
InChIKeyIKWIYIZHMXHLQM-UHFFFAOYSA-N
XLogP2.44
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-(3-methyl-2-oxoimidazolidin-1-yl)-4-(4-methylsulfonylphenyl)-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

7-(3-methyl-2-oxoimidazolidin-1-yl)-4-(1,3-thiazol-5-yl)-3,4-dihydro-1H-quinolin-2-one
CID 169422313
(4S)-4-[4-(2-methylpropyl)phenyl]-7-(2-oxoimidazolidin-1-yl)-3,4-dihydro-1H-quinolin-2-one
CID 95121129
(4R)-1-cyclopentyl-4-(4-methylsulfonylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136800408
(4S)-7-hydroxy-4-(4-methoxyphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 95166951
2-hydroxy-5-[(4S)-2-oxo-7-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-quinolin-4-yl]benzoic acid
CID 95122059
methyl N-[4-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate
CID 169421884
7-methyl-4-phenyl-3,4-dihydro-1H-quinolin-2-one
CID 105499107
1-(2,3-dihydro-1H-indol-6-yl)-3-methylimidazolidin-2-one
CID 82512682
1-(4-methylsulfonylphenyl)-1,3-diazinane-2,4-dione
CID 177010511
3-[2-chloro-3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]phenyl]piperidine-2,6-dione
CID 171846212
formic acid;7-(2-oxopyrrolidin-1-yl)-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one
CID 171339709
(3R)-3-[4-(4-methylsulfonylphenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione
CID 6978297

Frequently Asked Questions

What is the IUPAC name of 7-(3-methyl-2-oxoimidazolidin-1-yl)-4-(4-methylsulfonylphenyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-(3-methyl-2-oxoimidazolidin-1-yl)-4-(4-methylsulfonylphenyl)-3,4-dihydro-1H-quinolin-2-one (CID 169414401) is 7-(3-methyl-2-oxoimidazolidin-1-yl)-4-(4-methylsulfonylphenyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-(3-methyl-2-oxoimidazolidin-1-yl)-4-(4-methylsulfonylphenyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-(3-methyl-2-oxoimidazolidin-1-yl)-4-(4-methylsulfonylphenyl)-3,4-dihydro-1H-quinolin-2-one is CN1CCN(c2ccc3c(c2)NC(=O)CC3c2ccc(S(C)(=O)=O)cc2)C1=O.
What is the InChIKey of 7-(3-methyl-2-oxoimidazolidin-1-yl)-4-(4-methylsulfonylphenyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is IKWIYIZHMXHLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c1-22-9-10-23(20(22)25)14-5-8-16-17(12-19(24)21-18(16)11-14)13-3-6-15(7-4-13)28(2,26)27/h3-8,11,17H,9-10,12H2,1-2H3,(H,21,24).
What are the key properties of 7-(3-methyl-2-oxoimidazolidin-1-yl)-4-(4-methylsulfonylphenyl)-3,4-dihydro-1H-quinolin-2-one?
7-(3-methyl-2-oxoimidazolidin-1-yl)-4-(4-methylsulfonylphenyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 399.47 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methyl-2-oxoimidazolidin-1-yl)-4-(4-methylsulfonylphenyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 169414401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).