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

C18H17N3O3 — CID 110396408

IUPACN-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCn2c(=O)c(=O)[nH]c3ccccc32)c1
InChIInChI=1S/C18H17N3O3/c1-12-5-4-6-13(11-12)16(22)19-9-10-21-15-8-3-2-7-14(15)20-17(23)18(21)24/h2-8,11H,9-10H2,1H3,(H,19,22)(H,20,23)
InChIKeyWZPUGDJMEKJULP-UHFFFAOYSA-N
MW323.35 g/mol
LogP1.43
Rot. Bonds4

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

N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-3-methylbenzamide (PubChem CID 110396408) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-3-methylbenzamide
PubChem CID110396408
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC NameN-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCn2c(=O)c(=O)[nH]c3ccccc32)c1
InChIInChI=1S/C18H17N3O3/c1-12-5-4-6-13(11-12)16(22)19-9-10-21-15-8-3-2-7-14(15)20-17(23)18(21)24/h2-8,11H,9-10H2,1H3,(H,19,22)(H,20,23)
InChIKeyWZPUGDJMEKJULP-UHFFFAOYSA-N
XLogP1.43
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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]-4-methylbenzamide
CID 110396409
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-3-fluorobenzamide
CID 110396411
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]pyridine-4-carboxamide
CID 110396450
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-2-ethylbutanamide
CID 110396403
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]thiophene-2-carboxamide
CID 110396405
3-methoxy-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide
CID 110400726
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-(1-methylindol-3-yl)acetamide
CID 71705470
1-ethyl-N-[(3-methylphenyl)methyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 33279242
1-(2-acetamidoethyl)-2,3-dioxo-4H-quinoxaline-6-carboxylic acid
CID 43552815
ethane;4-(2-hydroxyethyl)-1H-quinoxaline-2,3-dione
CID 163261599

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-3-methylbenzamide?
The IUPAC name of N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-3-methylbenzamide (CID 110396408) is N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-3-methylbenzamide?
The canonical SMILES for N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-3-methylbenzamide is Cc1cccc(C(=O)NCCn2c(=O)c(=O)[nH]c3ccccc32)c1.
What is the InChIKey of N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-3-methylbenzamide?
The InChIKey is WZPUGDJMEKJULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-12-5-4-6-13(11-12)16(22)19-9-10-21-15-8-3-2-7-14(15)20-17(23)18(21)24/h2-8,11H,9-10H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-3-methylbenzamide?
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-3-methylbenzamide has a molecular weight of 323.35 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-3-methylbenzamide is sourced from PubChem (CID 110396408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).