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

C22H21N3O5 — CID 4884885

IUPAC5-(1,3-benzodioxol-5-yl)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
SMILESCC1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)N2CCCc3ccccc32)C1=O
InChIInChI=1S/C22H21N3O5/c1-22(15-8-9-17-18(11-15)30-13-29-17)20(27)25(21(28)23-22)12-19(26)24-10-4-6-14-5-2-3-7-16(14)24/h2-3,5,7-9,11H,4,6,10,12-13H2,1H3,(H,23,28)
InChIKeyWRXLHBGRKKJKGP-UHFFFAOYSA-N
MW407.43 g/mol
LogP2.16
Rot. Bonds3

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

5-(1,3-benzodioxol-5-yl)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione (PubChem CID 4884885) has the molecular formula C22H21N3O5 and a molecular weight of 407.43 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yl)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-yl)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
PubChem CID4884885
Molecular FormulaC22H21N3O5
Molecular Weight407.43 g/mol
Exact Mass407.15
IUPAC Name5-(1,3-benzodioxol-5-yl)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
SMILESCC1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)N2CCCc3ccccc32)C1=O
InChIInChI=1S/C22H21N3O5/c1-22(15-8-9-17-18(11-15)30-13-29-17)20(27)25(21(28)23-22)12-19(26)24-10-4-6-14-5-2-3-7-16(14)24/h2-3,5,7-9,11H,4,6,10,12-13H2,1H3,(H,23,28)
InChIKeyWRXLHBGRKKJKGP-UHFFFAOYSA-N
XLogP2.16
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(1,3-benzodioxol-5-yl)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-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
(5S)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 2126300
3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 112788597
(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-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 7709054
2-[4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dimethylacetamide
CID 17441791
(5R)-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 51951396
(5S)-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 51951395
ethyl 2-[(4S)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 7692011
(5R)-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 7595801
3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2701096
(5S)-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-3-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]imidazolidine-2,4-dione
CID 41186973

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yl)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-(1,3-benzodioxol-5-yl)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione (CID 4884885) is 5-(1,3-benzodioxol-5-yl)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(1,3-benzodioxol-5-yl)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione is CC1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)N2CCCc3ccccc32)C1=O.
What is the InChIKey of 5-(1,3-benzodioxol-5-yl)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is WRXLHBGRKKJKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O5/c1-22(15-8-9-17-18(11-15)30-13-29-17)20(27)25(21(28)23-22)12-19(26)24-10-4-6-14-5-2-3-7-16(14)24/h2-3,5,7-9,11H,4,6,10,12-13H2,1H3,(H,23,28).
What are the key properties of 5-(1,3-benzodioxol-5-yl)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
5-(1,3-benzodioxol-5-yl)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 407.43 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-yl)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 4884885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).