1-benzyl-6-chloro-4-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]quinoxaline-2,3-dione

C26H20ClN3O3 — CID 2418759

IUPAC1-benzyl-6-chloro-4-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]quinoxaline-2,3-dione
SMILESCc1[nH]c2ccccc2c1C(=O)Cn1c(=O)c(=O)n(Cc2ccccc2)c2ccc(Cl)cc21
InChIInChI=1S/C26H20ClN3O3/c1-16-24(19-9-5-6-10-20(19)28-16)23(31)15-30-22-13-18(27)11-12-21(22)29(25(32)26(30)33)14-17-7-3-2-4-8-17/h2-13,28H,14-15H2,1H3
InChIKeyUYDYGETWOMXCRN-UHFFFAOYSA-N
MW457.92 g/mol
LogP4.54
Rot. Bonds5

About 1-benzyl-6-chloro-4-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]quinoxaline-2,3-dione

1-benzyl-6-chloro-4-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]quinoxaline-2,3-dione (PubChem CID 2418759) has the molecular formula C26H20ClN3O3 and a molecular weight of 457.92 g/mol. Its IUPAC name is 1-benzyl-6-chloro-4-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]quinoxaline-2,3-dione.

Molecular Properties

Compound Name1-benzyl-6-chloro-4-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]quinoxaline-2,3-dione
PubChem CID2418759
Molecular FormulaC26H20ClN3O3
Molecular Weight457.92 g/mol
Exact Mass457.12
IUPAC Name1-benzyl-6-chloro-4-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]quinoxaline-2,3-dione
SMILESCc1[nH]c2ccccc2c1C(=O)Cn1c(=O)c(=O)n(Cc2ccccc2)c2ccc(Cl)cc21
InChIInChI=1S/C26H20ClN3O3/c1-16-24(19-9-5-6-10-20(19)28-16)23(31)15-30-22-13-18(27)11-12-21(22)29(25(32)26(30)33)14-17-7-3-2-4-8-17/h2-13,28H,14-15H2,1H3
InChIKeyUYDYGETWOMXCRN-UHFFFAOYSA-N
XLogP4.54
TPSA76.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.92
LogP ≤ 54.54
H-Bond Donors ≤ 51
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-benzyl-6-chloro-4-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]quinoxaline-2,3-dione?
The IUPAC name of 1-benzyl-6-chloro-4-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]quinoxaline-2,3-dione (CID 2418759) is 1-benzyl-6-chloro-4-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]quinoxaline-2,3-dione.
What is the SMILES notation for 1-benzyl-6-chloro-4-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]quinoxaline-2,3-dione?
The canonical SMILES for 1-benzyl-6-chloro-4-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]quinoxaline-2,3-dione is Cc1[nH]c2ccccc2c1C(=O)Cn1c(=O)c(=O)n(Cc2ccccc2)c2ccc(Cl)cc21.
What is the InChIKey of 1-benzyl-6-chloro-4-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]quinoxaline-2,3-dione?
The InChIKey is UYDYGETWOMXCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClN3O3/c1-16-24(19-9-5-6-10-20(19)28-16)23(31)15-30-22-13-18(27)11-12-21(22)29(25(32)26(30)33)14-17-7-3-2-4-8-17/h2-13,28H,14-15H2,1H3.
What are the key properties of 1-benzyl-6-chloro-4-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]quinoxaline-2,3-dione?
1-benzyl-6-chloro-4-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]quinoxaline-2,3-dione has a molecular weight of 457.92 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-chloro-4-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]quinoxaline-2,3-dione is sourced from PubChem (CID 2418759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).