4-[2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]acetyl]-1,3-dihydroquinoxalin-2-one

C19H19N3O4 — CID 8746830

IUPAC4-[2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]acetyl]-1,3-dihydroquinoxalin-2-one
SMILESCN(CC(=O)N1CC(=O)Nc2ccccc21)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C19H19N3O4/c1-21(9-13-6-7-16-17(8-13)26-12-25-16)11-19(24)22-10-18(23)20-14-4-2-3-5-15(14)22/h2-8H,9-12H2,1H3,(H,20,23)
InChIKeyGEWKFCYZSZELSR-UHFFFAOYSA-N
MW353.38 g/mol
LogP1.83
Rot. Bonds4

About 4-[2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]acetyl]-1,3-dihydroquinoxalin-2-one

4-[2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]acetyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 8746830) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 4-[2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]acetyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]acetyl]-1,3-dihydroquinoxalin-2-one
PubChem CID8746830
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name4-[2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]acetyl]-1,3-dihydroquinoxalin-2-one
SMILESCN(CC(=O)N1CC(=O)Nc2ccccc21)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C19H19N3O4/c1-21(9-13-6-7-16-17(8-13)26-12-25-16)11-19(24)22-10-18(23)20-14-4-2-3-5-15(14)22/h2-8H,9-12H2,1H3,(H,20,23)
InChIKeyGEWKFCYZSZELSR-UHFFFAOYSA-N
XLogP1.83
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]acetyl]-1,3-dihydroquinoxalin-2-one with MolForge

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

Launch Full Analysis

Related Compounds

4-[(2R)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]propanoyl]-1,3-dihydroquinoxalin-2-one
CID 8924570
4-[2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]acetyl]-1,3-dihydroquinoxalin-2-one
CID 9103714
4-[(2S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one
CID 9406687
N-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide
CID 73401740
N-[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide
CID 124651411
4-[(2R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one
CID 9406689
4-[2-(4-methylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one
CID 16864023
4-(2-naphthalen-2-ylacetyl)-1,3-dihydroquinoxalin-2-one
CID 16864035
4-[2-[ethyl(thiophen-2-ylmethyl)amino]acetyl]-1,3-dihydroquinoxalin-2-one
CID 8718340
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 8924194
4-[2-(4-sulfanylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one
CID 107021927
4-[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetyl]-1,3-dihydroquinoxalin-2-one
CID 9349298

Frequently Asked Questions

What is the IUPAC name of 4-[2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]acetyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]acetyl]-1,3-dihydroquinoxalin-2-one (CID 8746830) is 4-[2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]acetyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]acetyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]acetyl]-1,3-dihydroquinoxalin-2-one is CN(CC(=O)N1CC(=O)Nc2ccccc21)Cc1ccc2c(c1)OCO2.
What is the InChIKey of 4-[2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]acetyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is GEWKFCYZSZELSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-21(9-13-6-7-16-17(8-13)26-12-25-16)11-19(24)22-10-18(23)20-14-4-2-3-5-15(14)22/h2-8H,9-12H2,1H3,(H,20,23).
What are the key properties of 4-[2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]acetyl]-1,3-dihydroquinoxalin-2-one?
4-[2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]acetyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 353.38 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]acetyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 8746830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).