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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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).