1-[(4-chlorophenyl)methyl]-4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]quinoxaline-2,3-dione

C25H20ClN3O3 — CID 46357331

IUPAC1-[(4-chlorophenyl)methyl]-4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]quinoxaline-2,3-dione
SMILESO=C(Cn1c(=O)c(=O)n(Cc2ccc(Cl)cc2)c2ccccc21)N1CCc2ccccc21
InChIInChI=1S/C25H20ClN3O3/c26-19-11-9-17(10-12-19)15-28-21-7-3-4-8-22(21)29(25(32)24(28)31)16-23(30)27-14-13-18-5-1-2-6-20(18)27/h1-12H,13-16H2
InChIKeyIMYUZSXGVFDGTM-UHFFFAOYSA-N
MW445.91 g/mol
LogP3.45
Rot. Bonds4

About 1-[(4-chlorophenyl)methyl]-4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]quinoxaline-2,3-dione

1-[(4-chlorophenyl)methyl]-4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]quinoxaline-2,3-dione (PubChem CID 46357331) has the molecular formula C25H20ClN3O3 and a molecular weight of 445.91 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]quinoxaline-2,3-dione.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]quinoxaline-2,3-dione
PubChem CID46357331
Molecular FormulaC25H20ClN3O3
Molecular Weight445.91 g/mol
Exact Mass445.12
IUPAC Name1-[(4-chlorophenyl)methyl]-4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]quinoxaline-2,3-dione
SMILESO=C(Cn1c(=O)c(=O)n(Cc2ccc(Cl)cc2)c2ccccc21)N1CCc2ccccc21
InChIInChI=1S/C25H20ClN3O3/c26-19-11-9-17(10-12-19)15-28-21-7-3-4-8-22(21)29(25(32)24(28)31)16-23(30)27-14-13-18-5-1-2-6-20(18)27/h1-12H,13-16H2
InChIKeyIMYUZSXGVFDGTM-UHFFFAOYSA-N
XLogP3.45
TPSA64.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.91
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]quinoxaline-2,3-dione?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]quinoxaline-2,3-dione (CID 46357331) is 1-[(4-chlorophenyl)methyl]-4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]quinoxaline-2,3-dione.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]quinoxaline-2,3-dione?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]quinoxaline-2,3-dione is O=C(Cn1c(=O)c(=O)n(Cc2ccc(Cl)cc2)c2ccccc21)N1CCc2ccccc21.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]quinoxaline-2,3-dione?
The InChIKey is IMYUZSXGVFDGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN3O3/c26-19-11-9-17(10-12-19)15-28-21-7-3-4-8-22(21)29(25(32)24(28)31)16-23(30)27-14-13-18-5-1-2-6-20(18)27/h1-12H,13-16H2.
What are the key properties of 1-[(4-chlorophenyl)methyl]-4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]quinoxaline-2,3-dione?
1-[(4-chlorophenyl)methyl]-4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]quinoxaline-2,3-dione has a molecular weight of 445.91 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]quinoxaline-2,3-dione is sourced from PubChem (CID 46357331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).