(5R)-5-ethyl-5-(4-fluorophenyl)-3-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl]imidazolidine-2,4-dione

C23H24FN3O5S — CID 41256884

IUPAC(5R)-5-ethyl-5-(4-fluorophenyl)-3-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl]imidazolidine-2,4-dione
SMILESCC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)C1=O
InChIInChI=1S/C23H24FN3O5S/c1-3-23(17-7-9-18(24)10-8-17)21(29)26(22(30)25-23)14-20(28)16-6-11-19-15(13-16)5-4-12-27(19)33(2,31)32/h6-11,13H,3-5,12,14H2,1-2H3,(H,25,30)/t23-/m1/s1
InChIKeyFJRRNTBHZYIIDY-HSZRJFAPSA-N
MW473.53 g/mol
LogP2.58
Rot. Bonds6

About (5R)-5-ethyl-5-(4-fluorophenyl)-3-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl]imidazolidine-2,4-dione

(5R)-5-ethyl-5-(4-fluorophenyl)-3-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl]imidazolidine-2,4-dione (PubChem CID 41256884) has the molecular formula C23H24FN3O5S and a molecular weight of 473.53 g/mol. Its IUPAC name is (5R)-5-ethyl-5-(4-fluorophenyl)-3-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-ethyl-5-(4-fluorophenyl)-3-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl]imidazolidine-2,4-dione
PubChem CID41256884
Molecular FormulaC23H24FN3O5S
Molecular Weight473.53 g/mol
Exact Mass473.14
IUPAC Name(5R)-5-ethyl-5-(4-fluorophenyl)-3-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl]imidazolidine-2,4-dione
SMILESCC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)C1=O
InChIInChI=1S/C23H24FN3O5S/c1-3-23(17-7-9-18(24)10-8-17)21(29)26(22(30)25-23)14-20(28)16-6-11-19-15(13-16)5-4-12-27(19)33(2,31)32/h6-11,13H,3-5,12,14H2,1-2H3,(H,25,30)/t23-/m1/s1
InChIKeyFJRRNTBHZYIIDY-HSZRJFAPSA-N
XLogP2.58
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 52.58
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

(5R)-5-ethyl-3-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 41256841
3-[2-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 8004082
(5S)-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 7179307
1-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl]-3-propylimidazolidine-2,4,5-trione
CID 8626894
(5R)-5-ethyl-3-[2-(4-fluorophenyl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 7179651
(5R)-3-[2-(azocan-1-yl)-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 8571131
(5S)-5-ethyl-5-(4-fluorophenyl)-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione
CID 7264837
3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 16615032
1-(2-ethoxyphenyl)-3-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl]imidazolidine-2,4,5-trione
CID 55510695
3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 4804767
(5S)-5-ethyl-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 7181317
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 86980901

Frequently Asked Questions

What is the IUPAC name of (5R)-5-ethyl-5-(4-fluorophenyl)-3-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-ethyl-5-(4-fluorophenyl)-3-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl]imidazolidine-2,4-dione (CID 41256884) is (5R)-5-ethyl-5-(4-fluorophenyl)-3-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-ethyl-5-(4-fluorophenyl)-3-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-ethyl-5-(4-fluorophenyl)-3-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl]imidazolidine-2,4-dione is CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)C1=O.
What is the InChIKey of (5R)-5-ethyl-5-(4-fluorophenyl)-3-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl]imidazolidine-2,4-dione?
The InChIKey is FJRRNTBHZYIIDY-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H24FN3O5S/c1-3-23(17-7-9-18(24)10-8-17)21(29)26(22(30)25-23)14-20(28)16-6-11-19-15(13-16)5-4-12-27(19)33(2,31)32/h6-11,13H,3-5,12,14H2,1-2H3,(H,25,30)/t23-/m1/s1.
What are the key properties of (5R)-5-ethyl-5-(4-fluorophenyl)-3-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl]imidazolidine-2,4-dione?
(5R)-5-ethyl-5-(4-fluorophenyl)-3-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl]imidazolidine-2,4-dione has a molecular weight of 473.53 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-ethyl-5-(4-fluorophenyl)-3-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 41256884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).