N-methyl-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-oxopropanamide

C13H17N3O2 — CID 89467898

IUPACN-methyl-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-oxopropanamide
SMILESCNC(=O)CC(=O)N1CCN(C)c2ccccc21
InChIInChI=1S/C13H17N3O2/c1-14-12(17)9-13(18)16-8-7-15(2)10-5-3-4-6-11(10)16/h3-6H,7-9H2,1-2H3,(H,14,17)
InChIKeyOOTHTLBMKGTELC-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.61
Rot. Bonds2

About N-methyl-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-oxopropanamide

N-methyl-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-oxopropanamide (PubChem CID 89467898) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-methyl-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-oxopropanamide.

Molecular Properties

Compound NameN-methyl-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-oxopropanamide
PubChem CID89467898
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-methyl-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-oxopropanamide
SMILESCNC(=O)CC(=O)N1CCN(C)c2ccccc21
InChIInChI=1S/C13H17N3O2/c1-14-12(17)9-13(18)16-8-7-15(2)10-5-3-4-6-11(10)16/h3-6H,7-9H2,1-2H3,(H,14,17)
InChIKeyOOTHTLBMKGTELC-UHFFFAOYSA-N
XLogP0.61
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-oxopropanamide?
The IUPAC name of N-methyl-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-oxopropanamide (CID 89467898) is N-methyl-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-oxopropanamide.
What is the SMILES notation for N-methyl-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-oxopropanamide?
The canonical SMILES for N-methyl-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-oxopropanamide is CNC(=O)CC(=O)N1CCN(C)c2ccccc21.
What is the InChIKey of N-methyl-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-oxopropanamide?
The InChIKey is OOTHTLBMKGTELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-14-12(17)9-13(18)16-8-7-15(2)10-5-3-4-6-11(10)16/h3-6H,7-9H2,1-2H3,(H,14,17).
What are the key properties of N-methyl-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-oxopropanamide?
N-methyl-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-oxopropanamide has a molecular weight of 247.30 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-oxopropanamide is sourced from PubChem (CID 89467898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).