3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(7-methoxyquinolin-3-yl)propanamide

C24H24N4O5 — CID 75357077

IUPAC3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(7-methoxyquinolin-3-yl)propanamide
SMILESCOc1ccc(CN2C(=O)NC(CCC(=O)Nc3cnc4cc(OC)ccc4c3)C2=O)cc1
InChIInChI=1S/C24H24N4O5/c1-32-18-6-3-15(4-7-18)14-28-23(30)20(27-24(28)31)9-10-22(29)26-17-11-16-5-8-19(33-2)12-21(16)25-13-17/h3-8,11-13,20H,9-10,14H2,1-2H3,(H,26,29)(H,27,31)
InChIKeyLCHLVKNPNPCPQD-UHFFFAOYSA-N
MW448.48 g/mol
LogP3.09
Rot. Bonds8

About 3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(7-methoxyquinolin-3-yl)propanamide

3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(7-methoxyquinolin-3-yl)propanamide (PubChem CID 75357077) has the molecular formula C24H24N4O5 and a molecular weight of 448.48 g/mol. Its IUPAC name is 3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(7-methoxyquinolin-3-yl)propanamide.

Molecular Properties

Compound Name3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(7-methoxyquinolin-3-yl)propanamide
PubChem CID75357077
Molecular FormulaC24H24N4O5
Molecular Weight448.48 g/mol
Exact Mass448.17
IUPAC Name3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(7-methoxyquinolin-3-yl)propanamide
SMILESCOc1ccc(CN2C(=O)NC(CCC(=O)Nc3cnc4cc(OC)ccc4c3)C2=O)cc1
InChIInChI=1S/C24H24N4O5/c1-32-18-6-3-15(4-7-18)14-28-23(30)20(27-24(28)31)9-10-22(29)26-17-11-16-5-8-19(33-2)12-21(16)25-13-17/h3-8,11-13,20H,9-10,14H2,1-2H3,(H,26,29)(H,27,31)
InChIKeyLCHLVKNPNPCPQD-UHFFFAOYSA-N
XLogP3.09
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 53.09
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

2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(7-methoxyquinolin-3-yl)acetamide
CID 75531634
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 51829737
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
3-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoic acid
CID 51646647
N-[(3-methoxyphenyl)methyl]-3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 73258308
N-(2-ethylphenyl)-3-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 51842022
N-(4-methoxyphenyl)-2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 99871007
3-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-4-ylmethyl)propanamide
CID 51829659
N-[2-(dimethylamino)ethyl]-3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 75531975
3-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-methylbenzimidazol-5-yl)propanamide
CID 91640478
N-[2-(4-hydroxyphenyl)ethyl]-3-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 91638035

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(7-methoxyquinolin-3-yl)propanamide?
The IUPAC name of 3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(7-methoxyquinolin-3-yl)propanamide (CID 75357077) is 3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(7-methoxyquinolin-3-yl)propanamide.
What is the SMILES notation for 3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(7-methoxyquinolin-3-yl)propanamide?
The canonical SMILES for 3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(7-methoxyquinolin-3-yl)propanamide is COc1ccc(CN2C(=O)NC(CCC(=O)Nc3cnc4cc(OC)ccc4c3)C2=O)cc1.
What is the InChIKey of 3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(7-methoxyquinolin-3-yl)propanamide?
The InChIKey is LCHLVKNPNPCPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O5/c1-32-18-6-3-15(4-7-18)14-28-23(30)20(27-24(28)31)9-10-22(29)26-17-11-16-5-8-19(33-2)12-21(16)25-13-17/h3-8,11-13,20H,9-10,14H2,1-2H3,(H,26,29)(H,27,31).
What are the key properties of 3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(7-methoxyquinolin-3-yl)propanamide?
3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(7-methoxyquinolin-3-yl)propanamide has a molecular weight of 448.48 g/mol, XLogP of 3.09, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(7-methoxyquinolin-3-yl)propanamide is sourced from PubChem (CID 75357077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).