2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(7-methoxyquinolin-3-yl)acetamide

C23H22N4O4 — CID 75531634

IUPAC2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(7-methoxyquinolin-3-yl)acetamide
SMILESCOc1ccc2cc(NC(=O)CC3NC(=O)N(CCc4ccccc4)C3=O)cnc2c1
InChIInChI=1S/C23H22N4O4/c1-31-18-8-7-16-11-17(14-24-19(16)12-18)25-21(28)13-20-22(29)27(23(30)26-20)10-9-15-5-3-2-4-6-15/h2-8,11-12,14,20H,9-10,13H2,1H3,(H,25,28)(H,26,30)
InChIKeyBHCQRRDVJNROKT-UHFFFAOYSA-N
MW418.45 g/mol
LogP2.74
Rot. Bonds7

About 2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(7-methoxyquinolin-3-yl)acetamide

2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(7-methoxyquinolin-3-yl)acetamide (PubChem CID 75531634) has the molecular formula C23H22N4O4 and a molecular weight of 418.45 g/mol. Its IUPAC name is 2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(7-methoxyquinolin-3-yl)acetamide.

Molecular Properties

Compound Name2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(7-methoxyquinolin-3-yl)acetamide
PubChem CID75531634
Molecular FormulaC23H22N4O4
Molecular Weight418.45 g/mol
Exact Mass418.16
IUPAC Name2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(7-methoxyquinolin-3-yl)acetamide
SMILESCOc1ccc2cc(NC(=O)CC3NC(=O)N(CCc4ccccc4)C3=O)cnc2c1
InChIInChI=1S/C23H22N4O4/c1-31-18-8-7-16-11-17(14-24-19(16)12-18)25-21(28)13-20-22(29)27(23(30)26-20)10-9-15-5-3-2-4-6-15/h2-8,11-12,14,20H,9-10,13H2,1H3,(H,25,28)(H,26,30)
InChIKeyBHCQRRDVJNROKT-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
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

2-[(4R)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-pyridin-2-ylacetamide
CID 99871448
3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(7-methoxyquinolin-3-yl)propanamide
CID 75357077
2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 75531974
N-(1H-indol-6-yl)-2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 75531649
2-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(1-methylindol-5-yl)acetamide
CID 99871302
2-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(1-methylindol-6-yl)acetamide
CID 99871318
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 71825761
2-[(4R)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 99871503
3-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(6-methoxy-3-pyridinyl)propanamide
CID 124862824
N-cyclopropyl-2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 75531992
2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-propan-2-ylacetamide
CID 75356839
(5R)-5-benzyl-3-[2-(4-methoxyphenyl)ethyl]imidazolidine-2,4-dione
CID 11674231

Frequently Asked Questions

What is the IUPAC name of 2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(7-methoxyquinolin-3-yl)acetamide?
The IUPAC name of 2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(7-methoxyquinolin-3-yl)acetamide (CID 75531634) is 2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(7-methoxyquinolin-3-yl)acetamide.
What is the SMILES notation for 2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(7-methoxyquinolin-3-yl)acetamide?
The canonical SMILES for 2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(7-methoxyquinolin-3-yl)acetamide is COc1ccc2cc(NC(=O)CC3NC(=O)N(CCc4ccccc4)C3=O)cnc2c1.
What is the InChIKey of 2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(7-methoxyquinolin-3-yl)acetamide?
The InChIKey is BHCQRRDVJNROKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4/c1-31-18-8-7-16-11-17(14-24-19(16)12-18)25-21(28)13-20-22(29)27(23(30)26-20)10-9-15-5-3-2-4-6-15/h2-8,11-12,14,20H,9-10,13H2,1H3,(H,25,28)(H,26,30).
What are the key properties of 2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(7-methoxyquinolin-3-yl)acetamide?
2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(7-methoxyquinolin-3-yl)acetamide has a molecular weight of 418.45 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(7-methoxyquinolin-3-yl)acetamide is sourced from PubChem (CID 75531634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).