4-[2-[2-hydroxyethyl(propyl)amino]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one

C17H25N3O3 — CID 78825683

IUPAC4-[2-[2-hydroxyethyl(propyl)amino]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one
SMILESCCCN(CCO)CC(=O)N1c2ccccc2NC(=O)C1(C)C
InChIInChI=1S/C17H25N3O3/c1-4-9-19(10-11-21)12-15(22)20-14-8-6-5-7-13(14)18-16(23)17(20,2)3/h5-8,21H,4,9-12H2,1-3H3,(H,18,23)
InChIKeyZVYNAEZJZKWRRL-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.45
Rot. Bonds6

About 4-[2-[2-hydroxyethyl(propyl)amino]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one

4-[2-[2-hydroxyethyl(propyl)amino]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one (PubChem CID 78825683) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is 4-[2-[2-hydroxyethyl(propyl)amino]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one.

Molecular Properties

Compound Name4-[2-[2-hydroxyethyl(propyl)amino]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one
PubChem CID78825683
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name4-[2-[2-hydroxyethyl(propyl)amino]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one
SMILESCCCN(CCO)CC(=O)N1c2ccccc2NC(=O)C1(C)C
InChIInChI=1S/C17H25N3O3/c1-4-9-19(10-11-21)12-15(22)20-14-8-6-5-7-13(14)18-16(23)17(20,2)3/h5-8,21H,4,9-12H2,1-3H3,(H,18,23)
InChIKeyZVYNAEZJZKWRRL-UHFFFAOYSA-N
XLogP1.45
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[2-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-ethylamino]acetyl]carbamate
CID 8799774
4-[2-(2-ethoxyphenoxy)acetyl]-3,3-dimethyl-1H-quinoxalin-2-one
CID 7840966
N-cyclopropyl-2-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-methylamino]acetamide
CID 9053493
4-[2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one
CID 16609221
4-[2-(4-hydroxyphenyl)sulfanylacetyl]-3,3-dimethyl-1H-quinoxalin-2-one
CID 87010353
2-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 9221828
4-[2-(2,6-dichlorophenyl)sulfanylacetyl]-3,3-dimethyl-1H-quinoxalin-2-one
CID 7466995
N-(4-chlorophenyl)-2-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-methylamino]acetamide
CID 9166583
4-[2-[bis(2-methoxyethyl)amino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
CID 55470601
4-[2-(2-hydroxyethylsulfanyl)propanoyl]-3,3-dimethyl-1H-quinoxalin-2-one
CID 167787193
3,3-dimethyl-4-[2-(2,3,5,6-tetramethylphenyl)sulfanylacetyl]-1H-quinoxalin-2-one
CID 7468587
3,3-dimethyl-4-[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]-1H-quinoxalin-2-one
CID 8583106

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-hydroxyethyl(propyl)amino]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one?
The IUPAC name of 4-[2-[2-hydroxyethyl(propyl)amino]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one (CID 78825683) is 4-[2-[2-hydroxyethyl(propyl)amino]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one.
What is the SMILES notation for 4-[2-[2-hydroxyethyl(propyl)amino]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one?
The canonical SMILES for 4-[2-[2-hydroxyethyl(propyl)amino]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one is CCCN(CCO)CC(=O)N1c2ccccc2NC(=O)C1(C)C.
What is the InChIKey of 4-[2-[2-hydroxyethyl(propyl)amino]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one?
The InChIKey is ZVYNAEZJZKWRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-4-9-19(10-11-21)12-15(22)20-14-8-6-5-7-13(14)18-16(23)17(20,2)3/h5-8,21H,4,9-12H2,1-3H3,(H,18,23).
What are the key properties of 4-[2-[2-hydroxyethyl(propyl)amino]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one?
4-[2-[2-hydroxyethyl(propyl)amino]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one has a molecular weight of 319.41 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-hydroxyethyl(propyl)amino]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one is sourced from PubChem (CID 78825683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).