2-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-quinolin-5-ylacetamide

C23H22N4O5 — CID 99871291

IUPAC2-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-quinolin-5-ylacetamide
SMILESCOc1ccc(CN2C(=O)N[C@H](CC(=O)Nc3cccc4ncccc34)C2=O)cc1OC
InChIInChI=1S/C23H22N4O5/c1-31-19-9-8-14(11-20(19)32-2)13-27-22(29)18(26-23(27)30)12-21(28)25-17-7-3-6-16-15(17)5-4-10-24-16/h3-11,18H,12-13H2,1-2H3,(H,25,28)(H,26,30)/t18-/m1/s1
InChIKeyYBMLEWOGNWSUGW-GOSISDBHSA-N
MW434.45 g/mol
LogP2.70
Rot. Bonds7

About 2-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-quinolin-5-ylacetamide

2-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-quinolin-5-ylacetamide (PubChem CID 99871291) has the molecular formula C23H22N4O5 and a molecular weight of 434.45 g/mol. Its IUPAC name is 2-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-quinolin-5-ylacetamide.

Molecular Properties

Compound Name2-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-quinolin-5-ylacetamide
PubChem CID99871291
Molecular FormulaC23H22N4O5
Molecular Weight434.45 g/mol
Exact Mass434.16
IUPAC Name2-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-quinolin-5-ylacetamide
SMILESCOc1ccc(CN2C(=O)N[C@H](CC(=O)Nc3cccc4ncccc34)C2=O)cc1OC
InChIInChI=1S/C23H22N4O5/c1-31-19-9-8-14(11-20(19)32-2)13-27-22(29)18(26-23(27)30)12-21(28)25-17-7-3-6-16-15(17)5-4-10-24-16/h3-11,18H,12-13H2,1-2H3,(H,25,28)(H,26,30)/t18-/m1/s1
InChIKeyYBMLEWOGNWSUGW-GOSISDBHSA-N
XLogP2.70
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-quinolin-5-ylpropanamide
CID 99870849
3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-quinolin-5-ylpropanamide
CID 75531778
2-[(4S)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 75492502
N-(1,3-benzothiazol-2-yl)-2-[(4S)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 71828808
3-[1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1H-indol-4-yl)propanamide
CID 75531635
2-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(furan-2-ylmethyl)acetamide
CID 99871043
2-[(4S)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 71828705
2-[(4S)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-methylpropyl)acetamide
CID 75490972
N-quinolin-5-yl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 8873348
2-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1H-indol-5-yl)acetamide
CID 99871300
2-[1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 122169366
N-benzyl-3-[(4S)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 75491960

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-quinolin-5-ylacetamide?
The IUPAC name of 2-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-quinolin-5-ylacetamide (CID 99871291) is 2-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-quinolin-5-ylacetamide.
What is the SMILES notation for 2-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-quinolin-5-ylacetamide?
The canonical SMILES for 2-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-quinolin-5-ylacetamide is COc1ccc(CN2C(=O)N[C@H](CC(=O)Nc3cccc4ncccc34)C2=O)cc1OC.
What is the InChIKey of 2-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-quinolin-5-ylacetamide?
The InChIKey is YBMLEWOGNWSUGW-GOSISDBHSA-N. The full InChI is InChI=1S/C23H22N4O5/c1-31-19-9-8-14(11-20(19)32-2)13-27-22(29)18(26-23(27)30)12-21(28)25-17-7-3-6-16-15(17)5-4-10-24-16/h3-11,18H,12-13H2,1-2H3,(H,25,28)(H,26,30)/t18-/m1/s1.
What are the key properties of 2-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-quinolin-5-ylacetamide?
2-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-quinolin-5-ylacetamide has a molecular weight of 434.45 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-quinolin-5-ylacetamide is sourced from PubChem (CID 99871291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).