3-methyl-N-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]benzamide

C18H17N3O3 — CID 2444963

IUPAC3-methyl-N-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]benzamide
SMILESCc1cccc(C(=O)NCC(=O)N2CC(=O)Nc3ccccc32)c1
InChIInChI=1S/C18H17N3O3/c1-12-5-4-6-13(9-12)18(24)19-10-17(23)21-11-16(22)20-14-7-2-3-8-15(14)21/h2-9H,10-11H2,1H3,(H,19,24)(H,20,22)
InChIKeyVTTIQEQFBGAKFE-UHFFFAOYSA-N
MW323.35 g/mol
LogP1.71
Rot. Bonds3

About 3-methyl-N-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]benzamide

3-methyl-N-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]benzamide (PubChem CID 2444963) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 3-methyl-N-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]benzamide
PubChem CID2444963
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name3-methyl-N-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]benzamide
SMILESCc1cccc(C(=O)NCC(=O)N2CC(=O)Nc3ccccc32)c1
InChIInChI=1S/C18H17N3O3/c1-12-5-4-6-13(9-12)18(24)19-10-17(23)21-11-16(22)20-14-7-2-3-8-15(14)21/h2-9H,10-11H2,1H3,(H,19,24)(H,20,22)
InChIKeyVTTIQEQFBGAKFE-UHFFFAOYSA-N
XLogP1.71
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-methyl-N-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]benzamide?
The IUPAC name of 3-methyl-N-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]benzamide (CID 2444963) is 3-methyl-N-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]benzamide.
What is the SMILES notation for 3-methyl-N-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]benzamide?
The canonical SMILES for 3-methyl-N-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]benzamide is Cc1cccc(C(=O)NCC(=O)N2CC(=O)Nc3ccccc32)c1.
What is the InChIKey of 3-methyl-N-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]benzamide?
The InChIKey is VTTIQEQFBGAKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-12-5-4-6-13(9-12)18(24)19-10-17(23)21-11-16(22)20-14-7-2-3-8-15(14)21/h2-9H,10-11H2,1H3,(H,19,24)(H,20,22).
What are the key properties of 3-methyl-N-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]benzamide?
3-methyl-N-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]benzamide has a molecular weight of 323.35 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]benzamide is sourced from PubChem (CID 2444963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).