3-[[ethyl(2-hydroxyethyl)amino]methyl]-1H-quinoxalin-2-one

C13H17N3O2 — CID 62022162

IUPAC3-[[ethyl(2-hydroxyethyl)amino]methyl]-1H-quinoxalin-2-one
SMILESCCN(CCO)Cc1nc2ccccc2[nH]c1=O
InChIInChI=1S/C13H17N3O2/c1-2-16(7-8-17)9-12-13(18)15-11-6-4-3-5-10(11)14-12/h3-6,17H,2,7-9H2,1H3,(H,15,18)
InChIKeyQCVJIVDJBYRKKY-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.74
Rot. Bonds5

About 3-[[ethyl(2-hydroxyethyl)amino]methyl]-1H-quinoxalin-2-one

3-[[ethyl(2-hydroxyethyl)amino]methyl]-1H-quinoxalin-2-one (PubChem CID 62022162) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 3-[[ethyl(2-hydroxyethyl)amino]methyl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-[[ethyl(2-hydroxyethyl)amino]methyl]-1H-quinoxalin-2-one
PubChem CID62022162
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name3-[[ethyl(2-hydroxyethyl)amino]methyl]-1H-quinoxalin-2-one
SMILESCCN(CCO)Cc1nc2ccccc2[nH]c1=O
InChIInChI=1S/C13H17N3O2/c1-2-16(7-8-17)9-12-13(18)15-11-6-4-3-5-10(11)14-12/h3-6,17H,2,7-9H2,1H3,(H,15,18)
InChIKeyQCVJIVDJBYRKKY-UHFFFAOYSA-N
XLogP0.74
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[ethyl-[(3-oxo-4H-quinoxalin-2-yl)methyl]amino]propanoic acid
CID 61011313
3-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-1H-quinoxalin-2-one
CID 103864994
3-[[2-aminoethyl(methyl)amino]methyl]-1H-quinoxalin-2-one
CID 55103508
2-[2-methylpropyl-[(3-oxo-4H-quinoxalin-2-yl)methyl]amino]acetic acid
CID 63066089
2-[1H-benzimidazol-2-ylmethyl(propyl)amino]ethanol
CID 60691476
3-(4-hydroxybutan-2-ylsulfanylmethyl)-1H-quinoxalin-2-one
CID 66135922
2-[1H-benzimidazol-2-ylmethyl(butyl)amino]ethanol
CID 60689151
methyl 2-[methyl-[(3-oxo-4H-quinoxalin-2-yl)methyl]amino]acetate
CID 62027268
3-[[cyclohexyl(methyl)amino]methyl]-1H-quinoxalin-2-one
CID 86774445
N-(1H-benzimidazol-2-ylmethyl)-N-ethylbutan-1-amine
CID 82335815
N,N-diethyl-3-oxo-4H-quinoxaline-2-carboxamide
CID 10444556
3-[2-(dimethylamino)ethylsulfanylmethyl]-1H-quinoxalin-2-one
CID 134065176

Frequently Asked Questions

What is the IUPAC name of 3-[[ethyl(2-hydroxyethyl)amino]methyl]-1H-quinoxalin-2-one?
The IUPAC name of 3-[[ethyl(2-hydroxyethyl)amino]methyl]-1H-quinoxalin-2-one (CID 62022162) is 3-[[ethyl(2-hydroxyethyl)amino]methyl]-1H-quinoxalin-2-one.
What is the SMILES notation for 3-[[ethyl(2-hydroxyethyl)amino]methyl]-1H-quinoxalin-2-one?
The canonical SMILES for 3-[[ethyl(2-hydroxyethyl)amino]methyl]-1H-quinoxalin-2-one is CCN(CCO)Cc1nc2ccccc2[nH]c1=O.
What is the InChIKey of 3-[[ethyl(2-hydroxyethyl)amino]methyl]-1H-quinoxalin-2-one?
The InChIKey is QCVJIVDJBYRKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-2-16(7-8-17)9-12-13(18)15-11-6-4-3-5-10(11)14-12/h3-6,17H,2,7-9H2,1H3,(H,15,18).
What are the key properties of 3-[[ethyl(2-hydroxyethyl)amino]methyl]-1H-quinoxalin-2-one?
3-[[ethyl(2-hydroxyethyl)amino]methyl]-1H-quinoxalin-2-one has a molecular weight of 247.30 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethyl(2-hydroxyethyl)amino]methyl]-1H-quinoxalin-2-one is sourced from PubChem (CID 62022162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).