[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] (2S)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanoate

C22H17Cl2N3O6 — CID 27312063

IUPAC[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] (2S)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanoate
SMILESC[C@@H](OC(=O)[C@H](C)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O)C(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C22H17Cl2N3O6/c1-10(27-20(30)12-7-14(23)15(24)8-13(12)21(27)31)22(32)33-11(2)19(29)26-9-18(28)25-16-5-3-4-6-17(16)26/h3-8,10-11H,9H2,1-2H3,(H,25,28)/t10-,11+/m0/s1
InChIKeyMJYCCRITWSCDLO-WDEREUQCSA-N
MW490.30 g/mol
LogP2.89
Rot. Bonds4

About [(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] (2S)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanoate

[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] (2S)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanoate (PubChem CID 27312063) has the molecular formula C22H17Cl2N3O6 and a molecular weight of 490.30 g/mol. Its IUPAC name is [(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] (2S)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanoate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] (2S)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanoate
PubChem CID27312063
Molecular FormulaC22H17Cl2N3O6
Molecular Weight490.30 g/mol
Exact Mass489.05
IUPAC Name[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] (2S)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanoate
SMILESC[C@@H](OC(=O)[C@H](C)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O)C(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C22H17Cl2N3O6/c1-10(27-20(30)12-7-14(23)15(24)8-13(12)21(27)31)22(32)33-11(2)19(29)26-9-18(28)25-16-5-3-4-6-17(16)26/h3-8,10-11H,9H2,1-2H3,(H,25,28)/t10-,11+/m0/s1
InChIKeyMJYCCRITWSCDLO-WDEREUQCSA-N
XLogP2.89
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.30
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] (2S)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 2-[(2-chlorophenyl)methylsulfanyl]acetate
CID 8979423
4-[2-(4-chlorophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 43818910
[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 2-hydroxy-5-methylbenzoate
CID 8958658
[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 2-amino-4-fluorobenzoate
CID 27998213
4-[(2S)-2-(2,6-dichlorophenyl)sulfanylpropanoyl]-1,3-dihydroquinoxalin-2-one
CID 8621573
4-[(2R)-2-(2,6-dichlorophenyl)sulfanylpropanoyl]-1,3-dihydroquinoxalin-2-one
CID 8621578
[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 2-(2-fluorophenyl)acetate
CID 8958195
[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 2-(2-fluorophenyl)acetate
CID 8958193
[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 2-phenylsulfanylacetate
CID 8947617
[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate
CID 9383608
[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 3-fluoro-4-methylbenzoate
CID 9387141
4-(2-bromopropanoyl)-1,3-dihydroquinoxalin-2-one
CID 107902910

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] (2S)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanoate?
The IUPAC name of [(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] (2S)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanoate (CID 27312063) is [(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] (2S)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanoate.
What is the SMILES notation for [(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] (2S)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanoate?
The canonical SMILES for [(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] (2S)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanoate is C[C@@H](OC(=O)[C@H](C)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O)C(=O)N1CC(=O)Nc2ccccc21.
What is the InChIKey of [(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] (2S)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanoate?
The InChIKey is MJYCCRITWSCDLO-WDEREUQCSA-N. The full InChI is InChI=1S/C22H17Cl2N3O6/c1-10(27-20(30)12-7-14(23)15(24)8-13(12)21(27)31)22(32)33-11(2)19(29)26-9-18(28)25-16-5-3-4-6-17(16)26/h3-8,10-11H,9H2,1-2H3,(H,25,28)/t10-,11+/m0/s1.
What are the key properties of [(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] (2S)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanoate?
[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] (2S)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanoate has a molecular weight of 490.30 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] (2S)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanoate is sourced from PubChem (CID 27312063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).