3-[1-(diethylamino)ethyl]-3H-quinoxalin-2-one

C14H19N3O — CID 68851058

IUPAC3-[1-(diethylamino)ethyl]-3H-quinoxalin-2-one
SMILESCCN(CC)C(C)C1N=c2ccccc2=NC1=O
InChIInChI=1S/C14H19N3O/c1-4-17(5-2)10(3)13-14(18)16-12-9-7-6-8-11(12)15-13/h6-10,13H,4-5H2,1-3H3
InChIKeyZSNXUJXSXIGMDI-UHFFFAOYSA-N
MW245.33 g/mol
LogP0.56
Rot. Bonds4

About 3-[1-(diethylamino)ethyl]-3H-quinoxalin-2-one

3-[1-(diethylamino)ethyl]-3H-quinoxalin-2-one (PubChem CID 68851058) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-[1-(diethylamino)ethyl]-3H-quinoxalin-2-one.

Molecular Properties

Compound Name3-[1-(diethylamino)ethyl]-3H-quinoxalin-2-one
PubChem CID68851058
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name3-[1-(diethylamino)ethyl]-3H-quinoxalin-2-one
SMILESCCN(CC)C(C)C1N=c2ccccc2=NC1=O
InChIInChI=1S/C14H19N3O/c1-4-17(5-2)10(3)13-14(18)16-12-9-7-6-8-11(12)15-13/h6-10,13H,4-5H2,1-3H3
InChIKeyZSNXUJXSXIGMDI-UHFFFAOYSA-N
XLogP0.56
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(diethylamino)ethyl]-3H-quinoxalin-2-one?
The IUPAC name of 3-[1-(diethylamino)ethyl]-3H-quinoxalin-2-one (CID 68851058) is 3-[1-(diethylamino)ethyl]-3H-quinoxalin-2-one.
What is the SMILES notation for 3-[1-(diethylamino)ethyl]-3H-quinoxalin-2-one?
The canonical SMILES for 3-[1-(diethylamino)ethyl]-3H-quinoxalin-2-one is CCN(CC)C(C)C1N=c2ccccc2=NC1=O.
What is the InChIKey of 3-[1-(diethylamino)ethyl]-3H-quinoxalin-2-one?
The InChIKey is ZSNXUJXSXIGMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-4-17(5-2)10(3)13-14(18)16-12-9-7-6-8-11(12)15-13/h6-10,13H,4-5H2,1-3H3.
What are the key properties of 3-[1-(diethylamino)ethyl]-3H-quinoxalin-2-one?
3-[1-(diethylamino)ethyl]-3H-quinoxalin-2-one has a molecular weight of 245.33 g/mol, XLogP of 0.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(diethylamino)ethyl]-3H-quinoxalin-2-one is sourced from PubChem (CID 68851058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).