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

C21H29N3O3 — CID 51139017

IUPAC3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-hexyl-5-methylimidazolidine-2,4-dione
SMILESCCCCCCC1(C)NC(=O)N(CC(=O)N2CCCc3ccccc32)C1=O
InChIInChI=1S/C21H29N3O3/c1-3-4-5-8-13-21(2)19(26)24(20(27)22-21)15-18(25)23-14-9-11-16-10-6-7-12-17(16)23/h6-7,10,12H,3-5,8-9,11,13-15H2,1-2H3,(H,22,27)
InChIKeyZVDJIHJBPCLABP-UHFFFAOYSA-N
MW371.48 g/mol
LogP3.25
Rot. Bonds7

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

3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-hexyl-5-methylimidazolidine-2,4-dione (PubChem CID 51139017) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-hexyl-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-hexyl-5-methylimidazolidine-2,4-dione
PubChem CID51139017
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-hexyl-5-methylimidazolidine-2,4-dione
SMILESCCCCCCC1(C)NC(=O)N(CC(=O)N2CCCc3ccccc32)C1=O
InChIInChI=1S/C21H29N3O3/c1-3-4-5-8-13-21(2)19(26)24(20(27)22-21)15-18(25)23-14-9-11-16-10-6-7-12-17(16)23/h6-7,10,12H,3-5,8-9,11,13-15H2,1-2H3,(H,22,27)
InChIKeyZVDJIHJBPCLABP-UHFFFAOYSA-N
XLogP3.25
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-hexyl-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

(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]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2701096
(5S)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 2541213
3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 51138877
(5S)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 2126300
(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
3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 112788597
5-(1,3-benzodioxol-5-yl)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 4884885
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 7709054
3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 3963316
(5S)-5-(4-tert-butylphenyl)-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 2083997
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 7822059

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-hexyl-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-hexyl-5-methylimidazolidine-2,4-dione (CID 51139017) is 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-hexyl-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-hexyl-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-hexyl-5-methylimidazolidine-2,4-dione is CCCCCCC1(C)NC(=O)N(CC(=O)N2CCCc3ccccc32)C1=O.
What is the InChIKey of 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-hexyl-5-methylimidazolidine-2,4-dione?
The InChIKey is ZVDJIHJBPCLABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-3-4-5-8-13-21(2)19(26)24(20(27)22-21)15-18(25)23-14-9-11-16-10-6-7-12-17(16)23/h6-7,10,12H,3-5,8-9,11,13-15H2,1-2H3,(H,22,27).
What are the key properties of 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-hexyl-5-methylimidazolidine-2,4-dione?
3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-hexyl-5-methylimidazolidine-2,4-dione has a molecular weight of 371.48 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-hexyl-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 51139017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).