(5S)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione

C23H25N3O4 — CID 2541213

IUPAC(5S)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
SMILESCOc1ccccc1C[C@]1(C)NC(=O)N(CC(=O)N2CCCc3ccccc32)C1=O
InChIInChI=1S/C23H25N3O4/c1-23(14-17-9-4-6-12-19(17)30-2)21(28)26(22(29)24-23)15-20(27)25-13-7-10-16-8-3-5-11-18(16)25/h3-6,8-9,11-12H,7,10,13-15H2,1-2H3,(H,24,29)/t23-/m0/s1
InChIKeyWDRIOAJJFNCYLL-QHCPKHFHSA-N
MW407.47 g/mol
LogP2.53
Rot. Bonds5

About (5S)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione

(5S)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione (PubChem CID 2541213) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is (5S)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
PubChem CID2541213
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name(5S)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
SMILESCOc1ccccc1C[C@]1(C)NC(=O)N(CC(=O)N2CCCc3ccccc32)C1=O
InChIInChI=1S/C23H25N3O4/c1-23(14-17-9-4-6-12-19(17)30-2)21(28)26(22(29)24-23)15-20(27)25-13-7-10-16-8-3-5-11-18(16)25/h3-6,8-9,11-12H,7,10,13-15H2,1-2H3,(H,24,29)/t23-/m0/s1
InChIKeyWDRIOAJJFNCYLL-QHCPKHFHSA-N
XLogP2.53
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5S)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione 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

(5S)-5-(1,3-benzodioxol-5-ylmethyl)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 8659330
(5R)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione
CID 7180751
3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-hexyl-5-methylimidazolidine-2,4-dione
CID 51139017
3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2701096
(5S)-5-[(2-methoxyphenyl)methyl]-5-methyl-3-phenacylimidazolidine-2,4-dione
CID 7566809
N,N-dicyclohexyl-2-[4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4780704
N-tert-butyl-2-[(4R)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7565842
3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 51138877
(5S)-3-[2-(1-adamantyl)-2-oxoethyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 7565321
(5S)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 2126300
(5R)-3-[2-(4-fluorophenyl)-2-oxoethyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 7566272
(5S)-5-[(2-methoxyphenyl)methyl]-3-[2-(4-methoxyphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 7566086

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione (CID 2541213) is (5S)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione is COc1ccccc1C[C@]1(C)NC(=O)N(CC(=O)N2CCCc3ccccc32)C1=O.
What is the InChIKey of (5S)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is WDRIOAJJFNCYLL-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-23(14-17-9-4-6-12-19(17)30-2)21(28)26(22(29)24-23)15-20(27)25-13-7-10-16-8-3-5-11-18(16)25/h3-6,8-9,11-12H,7,10,13-15H2,1-2H3,(H,24,29)/t23-/m0/s1.
What are the key properties of (5S)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione?
(5S)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 407.47 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 2541213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).