(2,5-dioxopyrrolidin-1-yl) 2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]-3-phenylpropanoate

C22H20N4O6 — CID 73399671

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]-3-phenylpropanoate
SMILESO=C1CN(C(=O)NC(Cc2ccccc2)C(=O)ON2C(=O)CCC2=O)c2ccccc2N1
InChIInChI=1S/C22H20N4O6/c27-18-13-25(17-9-5-4-8-15(17)23-18)22(31)24-16(12-14-6-2-1-3-7-14)21(30)32-26-19(28)10-11-20(26)29/h1-9,16H,10-13H2,(H,23,27)(H,24,31)
InChIKeyNNXQLLOMJWSZMJ-UHFFFAOYSA-N
MW436.42 g/mol
LogP1.37
Rot. Bonds5

About (2,5-dioxopyrrolidin-1-yl) 2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]-3-phenylpropanoate

(2,5-dioxopyrrolidin-1-yl) 2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]-3-phenylpropanoate (PubChem CID 73399671) has the molecular formula C22H20N4O6 and a molecular weight of 436.42 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]-3-phenylpropanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]-3-phenylpropanoate
PubChem CID73399671
Molecular FormulaC22H20N4O6
Molecular Weight436.42 g/mol
Exact Mass436.14
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]-3-phenylpropanoate
SMILESO=C1CN(C(=O)NC(Cc2ccccc2)C(=O)ON2C(=O)CCC2=O)c2ccccc2N1
InChIInChI=1S/C22H20N4O6/c27-18-13-25(17-9-5-4-8-15(17)23-18)22(31)24-16(12-14-6-2-1-3-7-14)21(30)32-26-19(28)10-11-20(26)29/h1-9,16H,10-13H2,(H,23,27)(H,24,31)
InChIKeyNNXQLLOMJWSZMJ-UHFFFAOYSA-N
XLogP1.37
TPSA125.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.42
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2,5-dioxopyrrolidin-1-yl) 2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]-3-phenylpropanoate with MolForge

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Launch Full Analysis

Related Compounds

2-[[(2S)-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]-3-phenylpropanoyl]amino]acetic acid
CID 7097050
3-methyl-2-[[(2S)-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]-3-phenylpropanoyl]amino]butanoic acid
CID 166796022
N-[(2S)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxo-3-phenylpropan-2-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide
CID 41008705
(2S)-4-hydroxy-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]butanoic acid
CID 107825982
3-oxo-N-[(2R)-1-oxo-3-phenyl-1-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl]-2,4-dihydroquinoxaline-1-carboxamide
CID 51523469
(2S,3S)-3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoic acid
CID 7647438
(2,5-dioxopyrrolidin-1-yl) 2-[(2-phenoxyacetyl)amino]-3-phenylpropanoate
CID 19166619
(2S)-4-methylsulfanyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]butanoate
CID 7659896
(2S,3S)-3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoate
CID 7647437
2-[[2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]acetyl]amino]propanoic acid
CID 78446048
(2R)-2-[[2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]acetyl]amino]-2-phenylacetic acid
CID 7709245
2-[[3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoyl]amino]butanedioic acid
CID 73256553

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]-3-phenylpropanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]-3-phenylpropanoate (CID 73399671) is (2,5-dioxopyrrolidin-1-yl) 2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]-3-phenylpropanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]-3-phenylpropanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]-3-phenylpropanoate is O=C1CN(C(=O)NC(Cc2ccccc2)C(=O)ON2C(=O)CCC2=O)c2ccccc2N1.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]-3-phenylpropanoate?
The InChIKey is NNXQLLOMJWSZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O6/c27-18-13-25(17-9-5-4-8-15(17)23-18)22(31)24-16(12-14-6-2-1-3-7-14)21(30)32-26-19(28)10-11-20(26)29/h1-9,16H,10-13H2,(H,23,27)(H,24,31).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]-3-phenylpropanoate?
(2,5-dioxopyrrolidin-1-yl) 2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]-3-phenylpropanoate has a molecular weight of 436.42 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]-3-phenylpropanoate is sourced from PubChem (CID 73399671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).