[1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 3-(3-oxo-4H-quinoxalin-2-yl)propanoate

C25H19ClN2O4 — CID 163338483

IUPAC[1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 3-(3-oxo-4H-quinoxalin-2-yl)propanoate
SMILESO=C(CCc1nc2ccccc2[nH]c1=O)OC(C(=O)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C25H19ClN2O4/c26-18-12-10-17(11-13-18)24(23(30)16-6-2-1-3-7-16)32-22(29)15-14-21-25(31)28-20-9-5-4-8-19(20)27-21/h1-13,24H,14-15H2,(H,28,31)
InChIKeySOWUCEXEFGSEQO-UHFFFAOYSA-N
MW446.89 g/mol
LogP4.68
Rot. Bonds7

About [1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 3-(3-oxo-4H-quinoxalin-2-yl)propanoate

[1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 3-(3-oxo-4H-quinoxalin-2-yl)propanoate (PubChem CID 163338483) has the molecular formula C25H19ClN2O4 and a molecular weight of 446.89 g/mol. Its IUPAC name is [1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 3-(3-oxo-4H-quinoxalin-2-yl)propanoate.

Molecular Properties

Compound Name[1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 3-(3-oxo-4H-quinoxalin-2-yl)propanoate
PubChem CID163338483
Molecular FormulaC25H19ClN2O4
Molecular Weight446.89 g/mol
Exact Mass446.10
IUPAC Name[1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 3-(3-oxo-4H-quinoxalin-2-yl)propanoate
SMILESO=C(CCc1nc2ccccc2[nH]c1=O)OC(C(=O)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C25H19ClN2O4/c26-18-12-10-17(11-13-18)24(23(30)16-6-2-1-3-7-16)32-22(29)15-14-21-25(31)28-20-9-5-4-8-19(20)27-21/h1-13,24H,14-15H2,(H,28,31)
InChIKeySOWUCEXEFGSEQO-UHFFFAOYSA-N
XLogP4.68
TPSA89.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.89
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 3-(3-oxo-4H-quinoxalin-2-yl)propanoate with MolForge

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Related Compounds

(4-chlorophenyl)methyl 3-(3-oxo-4H-quinoxalin-2-yl)propanoate
CID 3158558
[1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 3-phenylpropanoate
CID 5023536
[(1S)-2-oxo-1,2-diphenylethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135831579
(2-chlorophenyl)methyl 3-(3-oxo-4H-quinoxalin-2-yl)propanoate
CID 956284
[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 4-anilino-4-oxobutanoate
CID 126184580
[(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 126187299
3-(3-oxo-4H-quinoxalin-2-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide
CID 19164914
(4-acetylphenyl)methyl 3-(3-oxo-4H-quinoxalin-2-yl)propanoate
CID 1300937
1,3-benzothiazol-2-ylmethyl 3-(3-oxo-4H-quinoxalin-2-yl)propanoate
CID 2408084
2-O-[(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 6-O-[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] pyridine-2,6-dicarboxylate
CID 99661934
phenyl 3-[3-(3-oxo-4H-quinoxalin-2-yl)propanoyloxymethyl]benzoate
CID 1300594
(2-oxo-1,2-diphenylethyl) 2-(4-chlorophenoxy)acetate
CID 3488846

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 3-(3-oxo-4H-quinoxalin-2-yl)propanoate?
The IUPAC name of [1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 3-(3-oxo-4H-quinoxalin-2-yl)propanoate (CID 163338483) is [1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 3-(3-oxo-4H-quinoxalin-2-yl)propanoate.
What is the SMILES notation for [1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 3-(3-oxo-4H-quinoxalin-2-yl)propanoate?
The canonical SMILES for [1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 3-(3-oxo-4H-quinoxalin-2-yl)propanoate is O=C(CCc1nc2ccccc2[nH]c1=O)OC(C(=O)c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of [1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 3-(3-oxo-4H-quinoxalin-2-yl)propanoate?
The InChIKey is SOWUCEXEFGSEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN2O4/c26-18-12-10-17(11-13-18)24(23(30)16-6-2-1-3-7-16)32-22(29)15-14-21-25(31)28-20-9-5-4-8-19(20)27-21/h1-13,24H,14-15H2,(H,28,31).
What are the key properties of [1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 3-(3-oxo-4H-quinoxalin-2-yl)propanoate?
[1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 3-(3-oxo-4H-quinoxalin-2-yl)propanoate has a molecular weight of 446.89 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 3-(3-oxo-4H-quinoxalin-2-yl)propanoate is sourced from PubChem (CID 163338483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).