2-(2-oxo-4-phenylpyrrolidin-1-yl)-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide

C22H20N4O3 — CID 135606314

IUPAC2-(2-oxo-4-phenylpyrrolidin-1-yl)-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide
SMILESO=C(CN1CC(c2ccccc2)CC1=O)N/N=C/c1cc2ccccc2[nH]c1=O
InChIInChI=1S/C22H20N4O3/c27-20(14-26-13-18(11-21(26)28)15-6-2-1-3-7-15)25-23-12-17-10-16-8-4-5-9-19(16)24-22(17)29/h1-10,12,18H,11,13-14H2,(H,24,29)(H,25,27)/b23-12+
InChIKeyWEBKRPOFFQGNIT-FSJBWODESA-N
MW388.43 g/mol
LogP1.99
Rot. Bonds5

About 2-(2-oxo-4-phenylpyrrolidin-1-yl)-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide

2-(2-oxo-4-phenylpyrrolidin-1-yl)-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide (PubChem CID 135606314) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is 2-(2-oxo-4-phenylpyrrolidin-1-yl)-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-oxo-4-phenylpyrrolidin-1-yl)-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide
PubChem CID135606314
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Name2-(2-oxo-4-phenylpyrrolidin-1-yl)-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide
SMILESO=C(CN1CC(c2ccccc2)CC1=O)N/N=C/c1cc2ccccc2[nH]c1=O
InChIInChI=1S/C22H20N4O3/c27-20(14-26-13-18(11-21(26)28)15-6-2-1-3-7-15)25-23-12-17-10-16-8-4-5-9-19(16)24-22(17)29/h1-10,12,18H,11,13-14H2,(H,24,29)(H,25,27)/b23-12+
InChIKeyWEBKRPOFFQGNIT-FSJBWODESA-N
XLogP1.99
TPSA94.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methoxyphenyl)methylideneamino]-2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide
CID 1237733
N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide
CID 27153975
N-[(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide
CID 3674967
N-[(2,4-dichloro-5-nitrophenyl)methylideneamino]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide
CID 5079637
N-[(Z)-(3,5-dichloro-2-methoxyphenyl)methylideneamino]-2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide
CID 27003765
N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]tetradecanamide
CID 136503680
2-[5-[(Z)-[[2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 5436423
N-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide
CID 135685437
N-(4-fluorophenyl)-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide
CID 5307809
2-(1,3-dihydroisoindol-2-yl)-N-[(Z)-(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide
CID 137085097
N-[2-oxo-2-[2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]naphthalene-1-carboxamide
CID 5164609
4-methyl-N-[2-oxo-2-[(2Z)-2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]benzamide
CID 136911857

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-4-phenylpyrrolidin-1-yl)-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide?
The IUPAC name of 2-(2-oxo-4-phenylpyrrolidin-1-yl)-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide (CID 135606314) is 2-(2-oxo-4-phenylpyrrolidin-1-yl)-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-oxo-4-phenylpyrrolidin-1-yl)-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-oxo-4-phenylpyrrolidin-1-yl)-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide is O=C(CN1CC(c2ccccc2)CC1=O)N/N=C/c1cc2ccccc2[nH]c1=O.
What is the InChIKey of 2-(2-oxo-4-phenylpyrrolidin-1-yl)-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide?
The InChIKey is WEBKRPOFFQGNIT-FSJBWODESA-N. The full InChI is InChI=1S/C22H20N4O3/c27-20(14-26-13-18(11-21(26)28)15-6-2-1-3-7-15)25-23-12-17-10-16-8-4-5-9-19(16)24-22(17)29/h1-10,12,18H,11,13-14H2,(H,24,29)(H,25,27)/b23-12+.
What are the key properties of 2-(2-oxo-4-phenylpyrrolidin-1-yl)-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide?
2-(2-oxo-4-phenylpyrrolidin-1-yl)-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide has a molecular weight of 388.43 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-4-phenylpyrrolidin-1-yl)-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide is sourced from PubChem (CID 135606314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).