3-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-oxoethyl]-1-phenylimidazolidine-2,4-dione

C20H25N3O3 — CID 60519177

IUPAC3-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-oxoethyl]-1-phenylimidazolidine-2,4-dione
SMILESO=C1CN(c2ccccc2)C(=O)N1CC(=O)N1CCCC2CCCCC21
InChIInChI=1S/C20H25N3O3/c24-18(21-12-6-8-15-7-4-5-11-17(15)21)14-23-19(25)13-22(20(23)26)16-9-2-1-3-10-16/h1-3,9-10,15,17H,4-8,11-14H2
InChIKeyOUZWLLYOEYOJHV-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.64
Rot. Bonds3

About 3-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-oxoethyl]-1-phenylimidazolidine-2,4-dione

3-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-oxoethyl]-1-phenylimidazolidine-2,4-dione (PubChem CID 60519177) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 3-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-oxoethyl]-1-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-oxoethyl]-1-phenylimidazolidine-2,4-dione
PubChem CID60519177
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name3-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-oxoethyl]-1-phenylimidazolidine-2,4-dione
SMILESO=C1CN(c2ccccc2)C(=O)N1CC(=O)N1CCCC2CCCCC21
InChIInChI=1S/C20H25N3O3/c24-18(21-12-6-8-15-7-4-5-11-17(15)21)14-23-19(25)13-22(20(23)26)16-9-2-1-3-10-16/h1-3,9-10,15,17H,4-8,11-14H2
InChIKeyOUZWLLYOEYOJHV-UHFFFAOYSA-N
XLogP2.64
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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8-[2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]-10-phenyl-3,6,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,11-trien-7-one
CID 92575900
3-[2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]-1,2,3-benzotriazin-4-one
CID 9489671
1-(2-cyclopentylpyrrolidin-1-yl)-2-(2-hydroxyphenyl)ethanone
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(5R)-3-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 100885751
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CID 51943726
1-[2-[(2S)-2-cyclopentylpyrrolidin-1-yl]-2-oxoethyl]quinoxalin-2-one
CID 94637166

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-oxoethyl]-1-phenylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-oxoethyl]-1-phenylimidazolidine-2,4-dione (CID 60519177) is 3-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-oxoethyl]-1-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-oxoethyl]-1-phenylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-oxoethyl]-1-phenylimidazolidine-2,4-dione is O=C1CN(c2ccccc2)C(=O)N1CC(=O)N1CCCC2CCCCC21.
What is the InChIKey of 3-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-oxoethyl]-1-phenylimidazolidine-2,4-dione?
The InChIKey is OUZWLLYOEYOJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c24-18(21-12-6-8-15-7-4-5-11-17(15)21)14-23-19(25)13-22(20(23)26)16-9-2-1-3-10-16/h1-3,9-10,15,17H,4-8,11-14H2.
What are the key properties of 3-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-oxoethyl]-1-phenylimidazolidine-2,4-dione?
3-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-oxoethyl]-1-phenylimidazolidine-2,4-dione has a molecular weight of 355.44 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-oxoethyl]-1-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 60519177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).