N-quinolin-2-yl-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide

C17H14N4O4 — CID 51101284

IUPACN-quinolin-2-yl-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide
SMILESC=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc3ccccc3n2)C1=O
InChIInChI=1S/C17H14N4O4/c1-2-9-20-15(23)16(24)21(17(20)25)10-14(22)19-13-8-7-11-5-3-4-6-12(11)18-13/h2-8H,1,9-10H2,(H,18,19,22)
InChIKeyHXTKVXQOLPJMJU-UHFFFAOYSA-N
MW338.32 g/mol
LogP1.15
Rot. Bonds5

About N-quinolin-2-yl-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide

N-quinolin-2-yl-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide (PubChem CID 51101284) has the molecular formula C17H14N4O4 and a molecular weight of 338.32 g/mol. Its IUPAC name is N-quinolin-2-yl-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-quinolin-2-yl-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide
PubChem CID51101284
Molecular FormulaC17H14N4O4
Molecular Weight338.32 g/mol
Exact Mass338.10
IUPAC NameN-quinolin-2-yl-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide
SMILESC=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc3ccccc3n2)C1=O
InChIInChI=1S/C17H14N4O4/c1-2-9-20-15(23)16(24)21(17(20)25)10-14(22)19-13-8-7-11-5-3-4-6-12(11)18-13/h2-8H,1,9-10H2,(H,18,19,22)
InChIKeyHXTKVXQOLPJMJU-UHFFFAOYSA-N
XLogP1.15
TPSA99.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-quinolin-2-ylacetamide
CID 94820253
N-(2-methylsulfanylphenyl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide
CID 7807482
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide
CID 9375107
N-(2,4-difluorophenyl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide
CID 7807414
2-amino-N-quinolin-2-ylacetamide
CID 54505370
N-[3-(ethylaminomethyl)phenyl]-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide
CID 119438651
2-[[2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetyl]amino]acetic acid
CID 119350297
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide
CID 51101012
N-[(1R)-1-(2-bromophenyl)ethyl]-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide
CID 7807257
N-(3-methyl-1-phenylbutyl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide
CID 51190609
N-(3,4-diethoxyphenyl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide
CID 7807374
N-(2,3-dihydro-1H-inden-1-yl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide
CID 51101004

Frequently Asked Questions

What is the IUPAC name of N-quinolin-2-yl-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide?
The IUPAC name of N-quinolin-2-yl-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide (CID 51101284) is N-quinolin-2-yl-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-quinolin-2-yl-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide?
The canonical SMILES for N-quinolin-2-yl-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide is C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc3ccccc3n2)C1=O.
What is the InChIKey of N-quinolin-2-yl-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide?
The InChIKey is HXTKVXQOLPJMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O4/c1-2-9-20-15(23)16(24)21(17(20)25)10-14(22)19-13-8-7-11-5-3-4-6-12(11)18-13/h2-8H,1,9-10H2,(H,18,19,22).
What are the key properties of N-quinolin-2-yl-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide?
N-quinolin-2-yl-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide has a molecular weight of 338.32 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-quinolin-2-yl-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 51101284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).