1-(2-ethoxyphenyl)-3-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl]imidazolidine-2,4,5-trione

C23H23N3O7S — CID 55510695

IUPAC1-(2-ethoxyphenyl)-3-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl]imidazolidine-2,4,5-trione
SMILESCCOc1ccccc1N1C(=O)C(=O)N(CC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)C1=O
InChIInChI=1S/C23H23N3O7S/c1-3-33-20-9-5-4-8-18(20)26-22(29)21(28)24(23(26)30)14-19(27)16-10-11-17-15(13-16)7-6-12-25(17)34(2,31)32/h4-5,8-11,13H,3,6-7,12,14H2,1-2H3
InChIKeyDNEYGTWQCXLMEQ-UHFFFAOYSA-N
MW485.52 g/mol
LogP1.98
Rot. Bonds7

About 1-(2-ethoxyphenyl)-3-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl]imidazolidine-2,4,5-trione

1-(2-ethoxyphenyl)-3-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl]imidazolidine-2,4,5-trione (PubChem CID 55510695) has the molecular formula C23H23N3O7S and a molecular weight of 485.52 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-3-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-3-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl]imidazolidine-2,4,5-trione
PubChem CID55510695
Molecular FormulaC23H23N3O7S
Molecular Weight485.52 g/mol
Exact Mass485.13
IUPAC Name1-(2-ethoxyphenyl)-3-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl]imidazolidine-2,4,5-trione
SMILESCCOc1ccccc1N1C(=O)C(=O)N(CC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)C1=O
InChIInChI=1S/C23H23N3O7S/c1-3-33-20-9-5-4-8-18(20)26-22(29)21(28)24(23(26)30)14-19(27)16-10-11-17-15(13-16)7-6-12-25(17)34(2,31)32/h4-5,8-11,13H,3,6-7,12,14H2,1-2H3
InChIKeyDNEYGTWQCXLMEQ-UHFFFAOYSA-N
XLogP1.98
TPSA121.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.52
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-(2-ethoxyphenyl)-3-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl]imidazolidine-2,4,5-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 41256841
2-ethoxy-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 7657890
(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
N-ethyl-1-methylsulfonyl-N-phenyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 86906799
2-(2-methylphenyl)sulfanyl-1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanone
CID 52728116
[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl] 4-ethylbenzoate
CID 46810302
1-O-methyl 2-O-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl] benzene-1,2-dicarboxylate
CID 56506413
[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl] 3-phenoxypropanoate
CID 40756316
3-[2-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 8004082
[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl] 4-chlorobenzoate
CID 40734538
N-[2-(2-methoxyphenyl)ethyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 27757054

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-3-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-(2-ethoxyphenyl)-3-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl]imidazolidine-2,4,5-trione (CID 55510695) is 1-(2-ethoxyphenyl)-3-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-(2-ethoxyphenyl)-3-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-(2-ethoxyphenyl)-3-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl]imidazolidine-2,4,5-trione is CCOc1ccccc1N1C(=O)C(=O)N(CC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)C1=O.
What is the InChIKey of 1-(2-ethoxyphenyl)-3-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl]imidazolidine-2,4,5-trione?
The InChIKey is DNEYGTWQCXLMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O7S/c1-3-33-20-9-5-4-8-18(20)26-22(29)21(28)24(23(26)30)14-19(27)16-10-11-17-15(13-16)7-6-12-25(17)34(2,31)32/h4-5,8-11,13H,3,6-7,12,14H2,1-2H3.
What are the key properties of 1-(2-ethoxyphenyl)-3-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl]imidazolidine-2,4,5-trione?
1-(2-ethoxyphenyl)-3-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl]imidazolidine-2,4,5-trione has a molecular weight of 485.52 g/mol, XLogP of 1.98, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-3-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 55510695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).