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'}

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

CID 71524688
CID 71524688
CID 71524689
CID 71524689
CID 2816386
CID 2816386
CID 9104271
CID 9104271
CID 9800164
CID 9800164
CID 9843031
CID 9843031
CID 9843032
CID 9843032
CID 9865490
CID 9865490
CID 9865920
CID 9865920
CID 9867004
CID 9867004
CID 9886340
CID 9886340
CID 9887091
CID 9887091

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).