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

C14H19N3O2 — CID 67472733

IUPACN-ethyl-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-oxopropanamide
SMILESCCNC(=O)CC(=O)N1CCN(C)c2ccccc21
InChIInChI=1S/C14H19N3O2/c1-3-15-13(18)10-14(19)17-9-8-16(2)11-6-4-5-7-12(11)17/h4-7H,3,8-10H2,1-2H3,(H,15,18)
InChIKeyBRNBTZDZIHWTHV-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.00
Rot. Bonds3

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

N-ethyl-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-oxopropanamide (PubChem CID 67472733) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-ethyl-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-oxopropanamide.

Molecular Properties

Compound NameN-ethyl-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-oxopropanamide
PubChem CID67472733
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-ethyl-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-oxopropanamide
SMILESCCNC(=O)CC(=O)N1CCN(C)c2ccccc21
InChIInChI=1S/C14H19N3O2/c1-3-15-13(18)10-14(19)17-9-8-16(2)11-6-4-5-7-12(11)17/h4-7H,3,8-10H2,1-2H3,(H,15,18)
InChIKeyBRNBTZDZIHWTHV-UHFFFAOYSA-N
XLogP1.00
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.00
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-ethyl-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-oxopropanamide?
The IUPAC name of N-ethyl-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-oxopropanamide (CID 67472733) is N-ethyl-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-oxopropanamide.
What is the SMILES notation for N-ethyl-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-oxopropanamide?
The canonical SMILES for N-ethyl-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-oxopropanamide is CCNC(=O)CC(=O)N1CCN(C)c2ccccc21.
What is the InChIKey of N-ethyl-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-oxopropanamide?
The InChIKey is BRNBTZDZIHWTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-3-15-13(18)10-14(19)17-9-8-16(2)11-6-4-5-7-12(11)17/h4-7H,3,8-10H2,1-2H3,(H,15,18).
What are the key properties of N-ethyl-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-oxopropanamide?
N-ethyl-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-oxopropanamide has a molecular weight of 261.32 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-oxopropanamide is sourced from PubChem (CID 67472733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).