N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-2-(1-methylindol-3-yl)acetamide

C21H20N4O3 — CID 71705470

IUPACN-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-2-(1-methylindol-3-yl)acetamide
SMILESCn1cc(CC(=O)NCCn2c(=O)c(=O)[nH]c3ccccc32)c2ccccc21
InChIInChI=1S/C21H20N4O3/c1-24-13-14(15-6-2-4-8-17(15)24)12-19(26)22-10-11-25-18-9-5-3-7-16(18)23-20(27)21(25)28/h2-9,13H,10-12H2,1H3,(H,22,26)(H,23,27)
InChIKeySMKNPSMKPVAJDZ-UHFFFAOYSA-N
MW376.42 g/mol
LogP1.54
Rot. Bonds5

About N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-2-(1-methylindol-3-yl)acetamide

N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-2-(1-methylindol-3-yl)acetamide (PubChem CID 71705470) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-2-(1-methylindol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-2-(1-methylindol-3-yl)acetamide
PubChem CID71705470
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC NameN-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-2-(1-methylindol-3-yl)acetamide
SMILESCn1cc(CC(=O)NCCn2c(=O)c(=O)[nH]c3ccccc32)c2ccccc21
InChIInChI=1S/C21H20N4O3/c1-24-13-14(15-6-2-4-8-17(15)24)12-19(26)22-10-11-25-18-9-5-3-7-16(18)23-20(27)21(25)28/h2-9,13H,10-12H2,1H3,(H,22,26)(H,23,27)
InChIKeySMKNPSMKPVAJDZ-UHFFFAOYSA-N
XLogP1.54
TPSA88.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-2-(4-fluorophenyl)acetamide
CID 110396431
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-2-ethylbutanamide
CID 110396403
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-4-methylbenzamide
CID 110396409
N-(2-aminoethyl)-2-(1-methylindol-3-yl)acetamide
CID 82289252
N-(2-methoxyethyl)-2-(1-methylindol-3-yl)acetamide
CID 3237946
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]pyridine-4-carboxamide
CID 110396450
2-bromo-N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]benzamide
CID 110396413
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-3-methylbenzamide
CID 110396408
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]thiophene-2-carboxamide
CID 110396405
N-but-3-ynyl-2-(1-methylindol-3-yl)acetamide
CID 90537865
N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-2-phenylacetamide
CID 110400739
N-[(4-fluorophenyl)methyl]-2-(1-methylindol-3-yl)acetamide
CID 3632445

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-2-(1-methylindol-3-yl)acetamide?
The IUPAC name of N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-2-(1-methylindol-3-yl)acetamide (CID 71705470) is N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-2-(1-methylindol-3-yl)acetamide.
What is the SMILES notation for N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-2-(1-methylindol-3-yl)acetamide?
The canonical SMILES for N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-2-(1-methylindol-3-yl)acetamide is Cn1cc(CC(=O)NCCn2c(=O)c(=O)[nH]c3ccccc32)c2ccccc21.
What is the InChIKey of N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-2-(1-methylindol-3-yl)acetamide?
The InChIKey is SMKNPSMKPVAJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-24-13-14(15-6-2-4-8-17(15)24)12-19(26)22-10-11-25-18-9-5-3-7-16(18)23-20(27)21(25)28/h2-9,13H,10-12H2,1H3,(H,22,26)(H,23,27).
What are the key properties of N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-2-(1-methylindol-3-yl)acetamide?
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-2-(1-methylindol-3-yl)acetamide has a molecular weight of 376.42 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-2-(1-methylindol-3-yl)acetamide is sourced from PubChem (CID 71705470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).