[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 1H-indole-2-carboxylate

C21H19N3O4 — CID 7723276

IUPAC[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 1H-indole-2-carboxylate
SMILESCC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C21H19N3O4/c1-21(2)20(27)23-15-9-5-6-10-17(15)24(21)18(25)12-28-19(26)16-11-13-7-3-4-8-14(13)22-16/h3-11,22H,12H2,1-2H3,(H,23,27)
InChIKeyPBOGJDYPTQSBKO-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.09
Rot. Bonds3

About [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 1H-indole-2-carboxylate

[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 1H-indole-2-carboxylate (PubChem CID 7723276) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 1H-indole-2-carboxylate.

Molecular Properties

Compound Name[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 1H-indole-2-carboxylate
PubChem CID7723276
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC Name[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 1H-indole-2-carboxylate
SMILESCC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C21H19N3O4/c1-21(2)20(27)23-15-9-5-6-10-17(15)24(21)18(25)12-28-19(26)16-11-13-7-3-4-8-14(13)22-16/h3-11,22H,12H2,1-2H3,(H,23,27)
InChIKeyPBOGJDYPTQSBKO-UHFFFAOYSA-N
XLogP3.09
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 1H-indole-2-carboxylate?
The IUPAC name of [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 1H-indole-2-carboxylate (CID 7723276) is [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 1H-indole-2-carboxylate.
What is the SMILES notation for [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 1H-indole-2-carboxylate?
The canonical SMILES for [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 1H-indole-2-carboxylate is CC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 1H-indole-2-carboxylate?
The InChIKey is PBOGJDYPTQSBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-21(2)20(27)23-15-9-5-6-10-17(15)24(21)18(25)12-28-19(26)16-11-13-7-3-4-8-14(13)22-16/h3-11,22H,12H2,1-2H3,(H,23,27).
What are the key properties of [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 1H-indole-2-carboxylate?
[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 1H-indole-2-carboxylate has a molecular weight of 377.40 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 1H-indole-2-carboxylate is sourced from PubChem (CID 7723276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).