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

C23H22N4O4 — CID 99870849

IUPAC3-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-quinolin-5-ylpropanamide
SMILESCOc1ccc(CN2C(=O)N[C@H](CCC(=O)Nc3cccc4ncccc34)C2=O)cc1
InChIInChI=1S/C23H22N4O4/c1-31-16-9-7-15(8-10-16)14-27-22(29)20(26-23(27)30)11-12-21(28)25-19-6-2-5-18-17(19)4-3-13-24-18/h2-10,13,20H,11-12,14H2,1H3,(H,25,28)(H,26,30)/t20-/m1/s1
InChIKeyJVHRPHNEIZYHOH-HXUWFJFHSA-N
MW418.45 g/mol
LogP3.08
Rot. Bonds7

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

3-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-quinolin-5-ylpropanamide (PubChem CID 99870849) has the molecular formula C23H22N4O4 and a molecular weight of 418.45 g/mol. Its IUPAC name is 3-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-quinolin-5-ylpropanamide.

Molecular Properties

Compound Name3-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-quinolin-5-ylpropanamide
PubChem CID99870849
Molecular FormulaC23H22N4O4
Molecular Weight418.45 g/mol
Exact Mass418.16
IUPAC Name3-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-quinolin-5-ylpropanamide
SMILESCOc1ccc(CN2C(=O)N[C@H](CCC(=O)Nc3cccc4ncccc34)C2=O)cc1
InChIInChI=1S/C23H22N4O4/c1-31-16-9-7-15(8-10-16)14-27-22(29)20(26-23(27)30)11-12-21(28)25-19-6-2-5-18-17(19)4-3-13-24-18/h2-10,13,20H,11-12,14H2,1H3,(H,25,28)(H,26,30)/t20-/m1/s1
InChIKeyJVHRPHNEIZYHOH-HXUWFJFHSA-N
XLogP3.08
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-quinolin-5-ylpropanamide
CID 75531778
N-(2-ethylphenyl)-3-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 51842022
2-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-quinolin-5-ylacetamide
CID 99871291
3-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-4-ylmethyl)propanamide
CID 51829659
N-[(3-methoxyphenyl)methyl]-3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 73258308
3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 75356834
3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(7-methoxyquinolin-3-yl)propanamide
CID 75357077
3-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide
CID 75489604
3-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoic acid
CID 51646647
N-[2-(4-hydroxyphenyl)ethyl]-3-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 91638035
N-(furan-2-ylmethyl)-3-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 51835059
3-[1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1H-indol-4-yl)propanamide
CID 75531635

Frequently Asked Questions

What is the IUPAC name of 3-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-quinolin-5-ylpropanamide?
The IUPAC name of 3-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-quinolin-5-ylpropanamide (CID 99870849) is 3-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-quinolin-5-ylpropanamide.
What is the SMILES notation for 3-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-quinolin-5-ylpropanamide?
The canonical SMILES for 3-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-quinolin-5-ylpropanamide is COc1ccc(CN2C(=O)N[C@H](CCC(=O)Nc3cccc4ncccc34)C2=O)cc1.
What is the InChIKey of 3-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-quinolin-5-ylpropanamide?
The InChIKey is JVHRPHNEIZYHOH-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H22N4O4/c1-31-16-9-7-15(8-10-16)14-27-22(29)20(26-23(27)30)11-12-21(28)25-19-6-2-5-18-17(19)4-3-13-24-18/h2-10,13,20H,11-12,14H2,1H3,(H,25,28)(H,26,30)/t20-/m1/s1.
What are the key properties of 3-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-quinolin-5-ylpropanamide?
3-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-quinolin-5-ylpropanamide has a molecular weight of 418.45 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-quinolin-5-ylpropanamide is sourced from PubChem (CID 99870849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).